4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine

C29H34N8O2 — CID 177195424

IUPAC4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine
SMILESCN[C@@H]1CCN(c2cc3c(Nc4ncc(C5CC5)cn4)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)C1
InChIInChI=1S/C29H34N8O2/c1-16-5-8-23(38-4)17(2)26(16)39-28-25-21(11-24(36-28)37-10-9-20(15-37)31-3)22(14-32-27(25)30)35-29-33-12-19(13-34-29)18-6-7-18/h5,8,11-14,18,20,31H,6-7,9-10,15H2,1-4H3,(H2,30,32)(H,33,34,35)/t20-/m1/s1
InChIKeyDKQQIDMVSMMBLE-HXUWFJFHSA-N
MW526.65 g/mol
LogP4.84
Rot. Bonds8

About 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine

4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine (PubChem CID 177195424) has the molecular formula C29H34N8O2 and a molecular weight of 526.65 g/mol. Its IUPAC name is 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine
PubChem CID177195424
Molecular FormulaC29H34N8O2
Molecular Weight526.65 g/mol
Exact Mass526.28
IUPAC Name4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine
SMILESCN[C@@H]1CCN(c2cc3c(Nc4ncc(C5CC5)cn4)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)C1
InChIInChI=1S/C29H34N8O2/c1-16-5-8-23(38-4)17(2)26(16)39-28-25-21(11-24(36-28)37-10-9-20(15-37)31-3)22(14-32-27(25)30)35-29-33-12-19(13-34-29)18-6-7-18/h5,8,11-14,18,20,31H,6-7,9-10,15H2,1-4H3,(H2,30,32)(H,33,34,35)/t20-/m1/s1
InChIKeyDKQQIDMVSMMBLE-HXUWFJFHSA-N
XLogP4.84
TPSA123.34 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.65
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N6-[(2,3,4-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479410
N6-[(2,4,6-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479414
N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine
CID 3232747
N-[3-(1H-imidazol-1-yl)propyl]-5,7-dimethoxy-4-methyl-2-quinolinamine
CID 31196666
6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 155548061
4-[(2,4-Dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine
CID 155556168
2-(4-Methoxy-2-phenylmethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 168276718
4-[3-[5-Methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]morpholine
CID 168288567
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 59703495
N-[7-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]methoxy]-2-ethylquinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 156303987
7-[[5-[4-amino-5-(1-cyclopropylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
CID 156303999
N-[7-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]methoxy]-2-cyclobutylquinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 156304005

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine?
The IUPAC name of 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine (CID 177195424) is 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine is CN[C@@H]1CCN(c2cc3c(Nc4ncc(C5CC5)cn4)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)C1.
What is the InChIKey of 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine?
The InChIKey is DKQQIDMVSMMBLE-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H34N8O2/c1-16-5-8-23(38-4)17(2)26(16)39-28-25-21(11-24(36-28)37-10-9-20(15-37)31-3)22(14-32-27(25)30)35-29-33-12-19(13-34-29)18-6-7-18/h5,8,11-14,18,20,31H,6-7,9-10,15H2,1-4H3,(H2,30,32)(H,33,34,35)/t20-/m1/s1.
What are the key properties of 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine?
4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine has a molecular weight of 526.65 g/mol, XLogP of 4.84, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine is sourced from PubChem (CID 177195424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).