7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C72H85N23O3 — CID 158076107

IUPAC7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCN5C[C@@H](C)O[C@@H](C)C5)c4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCN5C[C@H](C)O[C@@H](C)C5)c4)cc3n2)c1.COCn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1
InChIInChI=1S/2C26H32N8O.C20H21N7O/c2*1-17(2)20-10-26(32-28-12-20)31-25-6-5-23-24(30-25)9-21(11-27-23)22-13-29-34(16-22)8-7-33-14-18(3)35-19(4)15-33;1-13(2)14-7-20(26-22-9-14)25-19-5-4-17-18(24-19)6-15(8-21-17)16-10-23-27(11-16)12-28-3/h2*5-6,9-13,16-19H,7-8,14-15H2,1-4H3,(H,30,31,32);4-11,13H,12H2,1-3H3,(H,24,25,26)/t18-,19+;18-,19-;/m.0./s1
InChIKeyFMJVBSYKXFREJA-YBXSOJFQSA-N
MW1320.63 g/mol
LogP12.27
Rot. Bonds20

About 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 158076107) has the molecular formula C72H85N23O3 and a molecular weight of 1320.63 g/mol. Its IUPAC name is 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID158076107
Molecular FormulaC72H85N23O3
Molecular Weight1320.63 g/mol
Exact Mass1319.72
IUPAC Name7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCN5C[C@@H](C)O[C@@H](C)C5)c4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCN5C[C@H](C)O[C@@H](C)C5)c4)cc3n2)c1.COCn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1
InChIInChI=1S/2C26H32N8O.C20H21N7O/c2*1-17(2)20-10-26(32-28-12-20)31-25-6-5-23-24(30-25)9-21(11-27-23)22-13-29-34(16-22)8-7-33-14-18(3)35-19(4)15-33;1-13(2)14-7-20(26-22-9-14)25-19-5-4-17-18(24-19)6-15(8-21-17)16-10-23-27(11-16)12-28-3/h2*5-6,9-13,16-19H,7-8,14-15H2,1-4H3,(H,30,31,32);4-11,13H,12H2,1-3H3,(H,24,25,26)/t18-,19+;18-,19-;/m.0./s1
InChIKeyFMJVBSYKXFREJA-YBXSOJFQSA-N
XLogP12.27
TPSA278.40 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001320.63
LogP ≤ 512.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Elimusertib
CID 118869362
Vabametkib
CID 73504719
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582454
US10023576, Example 63
CID 130362847
2-((2S,6R)-2,6-dimethylmorpholino)-6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidine
CID 11650332
7-(1-methylpyrazol-4-yl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66556035
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113911
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113915
4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728539
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728565
(3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869550
(3R)-4-[4-(2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 122585589

Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 158076107) is 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCN5C[C@@H](C)O[C@@H](C)C5)c4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCN5C[C@H](C)O[C@@H](C)C5)c4)cc3n2)c1.COCn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1.
What is the InChIKey of 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is FMJVBSYKXFREJA-YBXSOJFQSA-N. The full InChI is InChI=1S/2C26H32N8O.C20H21N7O/c2*1-17(2)20-10-26(32-28-12-20)31-25-6-5-23-24(30-25)9-21(11-27-23)22-13-29-34(16-22)8-7-33-14-18(3)35-19(4)15-33;1-13(2)14-7-20(26-22-9-14)25-19-5-4-17-18(24-19)6-15(8-21-17)16-10-23-27(11-16)12-28-3/h2*5-6,9-13,16-19H,7-8,14-15H2,1-4H3,(H,30,31,32);4-11,13H,12H2,1-3H3,(H,24,25,26)/t18-,19+;18-,19-;/m.0./s1.
What are the key properties of 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 1320.63 g/mol, XLogP of 12.27, 20 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 158076107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).