[3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C24H29N7O3 — CID 71011764

IUPAC[3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cnc(Nc2cccc(C(=O)N3CCOCC3)c2)nc1-c1cnn(C(CN)C2CC2)c1
InChIInChI=1S/C24H29N7O3/c1-33-21-14-26-24(29-22(21)18-13-27-31(15-18)20(12-25)16-5-6-16)28-19-4-2-3-17(11-19)23(32)30-7-9-34-10-8-30/h2-4,11,13-16,20H,5-10,12,25H2,1H3,(H,26,28,29)
InChIKeyHWBVXEXPGQTONI-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.47
Rot. Bonds8

About [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 71011764) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID71011764
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name[3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cnc(Nc2cccc(C(=O)N3CCOCC3)c2)nc1-c1cnn(C(CN)C2CC2)c1
InChIInChI=1S/C24H29N7O3/c1-33-21-14-26-24(29-22(21)18-13-27-31(15-18)20(12-25)16-5-6-16)28-19-4-2-3-17(11-19)23(32)30-7-9-34-10-8-30/h2-4,11,13-16,20H,5-10,12,25H2,1H3,(H,26,28,29)
InChIKeyHWBVXEXPGQTONI-UHFFFAOYSA-N
XLogP2.47
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[[4-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]benzoyl]piperidine-4-carbonitrile
CID 58014329
3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 71011724
[4-[[5-chloro-4-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 167428529
3-[4-[5-chloro-2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]pyrazol-1-yl]butanenitrile
CID 156865481
3-cyclopentyl-3-[4-[2-[3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]anilino]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 68589239
1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117
3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 58014480
[4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 167428507
[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 22060666
[4-[(4-amino-5-bromopyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 121258187
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 71011764) is [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is COc1cnc(Nc2cccc(C(=O)N3CCOCC3)c2)nc1-c1cnn(C(CN)C2CC2)c1.
What is the InChIKey of [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is HWBVXEXPGQTONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-33-21-14-26-24(29-22(21)18-13-27-31(15-18)20(12-25)16-5-6-16)28-19-4-2-3-17(11-19)23(32)30-7-9-34-10-8-30/h2-4,11,13-16,20H,5-10,12,25H2,1H3,(H,26,28,29).
What are the key properties of [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 463.54 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71011764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).