N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine

C18H16N6 — CID 135368330

IUPACN-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(-c3ccnc4[nH]ccc34)nc3cnccc23)CC1
InChIInChI=1S/C18H16N6/c1-18(5-6-18)24-17-13-2-7-19-10-14(13)22-16(23-17)12-4-9-21-15-11(12)3-8-20-15/h2-4,7-10H,5-6H2,1H3,(H,20,21)(H,22,23,24)
InChIKeySKCVLFAHPHRYTM-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.53
Rot. Bonds3

About N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine

N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368330) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368330
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC NameN-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(-c3ccnc4[nH]ccc34)nc3cnccc23)CC1
InChIInChI=1S/C18H16N6/c1-18(5-6-18)24-17-13-2-7-19-10-14(13)22-16(23-17)12-4-9-21-15-11(12)3-8-20-15/h2-4,7-10H,5-6H2,1H3,(H,20,21)(H,22,23,24)
InChIKeySKCVLFAHPHRYTM-UHFFFAOYSA-N
XLogP3.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine 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

2-(1H-imidazol-5-yl)-N-(1-methylcyclopropyl)pyrido[3,4-d]pyrimidin-4-amine
CID 135390677
N-(1-methylcyclopropyl)-2-(1,3-oxazol-5-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 135368048
8-methyl-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368386
4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine
CID 90098709
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 135390680
5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 166315125
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 146092130
5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 146092125
N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine
CID 135390576
imino-methyl-[1-[6-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 119081226

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine (CID 135368330) is N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine is CC1(Nc2nc(-c3ccnc4[nH]ccc34)nc3cnccc23)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is SKCVLFAHPHRYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-18(5-6-18)24-17-13-2-7-19-10-14(13)22-16(23-17)12-4-9-21-15-11(12)3-8-20-15/h2-4,7-10H,5-6H2,1H3,(H,20,21)(H,22,23,24).
What are the key properties of N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 316.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).