N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

C38H36Cl2N8 — CID 135174096

IUPACN-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
SMILESClc1c(Nc2nccc3cc(CN4CCCC4)cnc23)cccc1-c1cccc(Nc2nccc3cc(CN4CCCC4)cnc23)c1Cl
InChIInChI=1S/C38H36Cl2N8/c39-33-29(7-5-9-31(33)45-37-35-27(11-13-41-37)19-25(21-43-35)23-47-15-1-2-16-47)30-8-6-10-32(34(30)40)46-38-36-28(12-14-42-38)20-26(22-44-36)24-48-17-3-4-18-48/h5-14,19-22H,1-4,15-18,23-24H2,(H,41,45)(H,42,46)
InChIKeyNXOYURFVOLYGDA-UHFFFAOYSA-N
MW675.67 g/mol
LogP9.23
Rot. Bonds9

About N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine (PubChem CID 135174096) has the molecular formula C38H36Cl2N8 and a molecular weight of 675.67 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine.

Molecular Properties

Compound NameN-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
PubChem CID135174096
Molecular FormulaC38H36Cl2N8
Molecular Weight675.67 g/mol
Exact Mass674.24
IUPAC NameN-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
SMILESClc1c(Nc2nccc3cc(CN4CCCC4)cnc23)cccc1-c1cccc(Nc2nccc3cc(CN4CCCC4)cnc23)c1Cl
InChIInChI=1S/C38H36Cl2N8/c39-33-29(7-5-9-31(33)45-37-35-27(11-13-41-37)19-25(21-43-35)23-47-15-1-2-16-47)30-8-6-10-32(34(30)40)46-38-36-28(12-14-42-38)20-26(22-44-36)24-48-17-3-4-18-48/h5-14,19-22H,1-4,15-18,23-24H2,(H,41,45)(H,42,46)
InChIKeyNXOYURFVOLYGDA-UHFFFAOYSA-N
XLogP9.23
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.67
LogP ≤ 59.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine with MolForge

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Related Compounds

N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-2-(pyrrolidin-1-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 135173836
8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridine-3-carbaldehyde
CID 135165280
methyl 1-[[8-[3-(3-amino-2-chlorophenyl)-2-chloroanilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate
CID 135145864
1-[[8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 135145756
[1-[[8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-yl]-phosphanylmethanone
CID 170078466
N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 175711278
2-[3-[2-chloro-3-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylphenyl]-5-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole-7-carbonitrile
CID 175787364
N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
CID 166672808
2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone
CID 142389165
2-[2-chloro-3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]-5-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole-7-carbonitrile
CID 175787398
N-[2-chloro-3-[2-chloro-3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide
CID 135146005
N-[2-chloro-3-[2-chloro-3-[[3-[(3-hydroxypyrrolidin-1-yl)methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide
CID 135146007

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
The IUPAC name of N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine (CID 135174096) is N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine.
What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine is Clc1c(Nc2nccc3cc(CN4CCCC4)cnc23)cccc1-c1cccc(Nc2nccc3cc(CN4CCCC4)cnc23)c1Cl.
What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
The InChIKey is NXOYURFVOLYGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36Cl2N8/c39-33-29(7-5-9-31(33)45-37-35-27(11-13-41-37)19-25(21-43-35)23-47-15-1-2-16-47)30-8-6-10-32(34(30)40)46-38-36-28(12-14-42-38)20-26(22-44-36)24-48-17-3-4-18-48/h5-14,19-22H,1-4,15-18,23-24H2,(H,41,45)(H,42,46).
What are the key properties of N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine has a molecular weight of 675.67 g/mol, XLogP of 9.23, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine is sourced from PubChem (CID 135174096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).