N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C23H26N8O — CID 155394421

IUPACN-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3nc(N4CCNCC4)c4c(C(C)C)cncc4n3)ccnc2[nH]1
InChIInChI=1S/C23H26N8O/c1-13(2)16-11-26-12-18-19(16)22(31-8-6-25-7-9-31)30-21(29-18)14-4-5-27-20-15(14)10-17(28-20)23(32)24-3/h4-5,10-13,25H,6-9H2,1-3H3,(H,24,32)(H,27,28)
InChIKeyHYNLGUGGCXQPPV-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 155394421) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID155394421
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC NameN-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3nc(N4CCNCC4)c4c(C(C)C)cncc4n3)ccnc2[nH]1
InChIInChI=1S/C23H26N8O/c1-13(2)16-11-26-12-18-19(16)22(31-8-6-25-7-9-31)30-21(29-18)14-4-5-27-20-15(14)10-17(28-20)23(32)24-3/h4-5,10-13,25H,6-9H2,1-3H3,(H,24,32)(H,27,28)
InChIKeyHYNLGUGGCXQPPV-UHFFFAOYSA-N
XLogP2.46
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine
CID 90098709
(Z)-1-[4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-ethylsulfanyl-N-methylethenamine
CID 144885064
5-bromo-4-piperazin-1-yl-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidine
CID 90099467
5-(cyclobutadienyl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 90099346
5-(cyclobutadienyl)-4-piperazin-1-yl-2-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidine
CID 90099381
2-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 121279942
5-cyclopropyl-2-[2-[(2-methyloxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 144599759
1-[2-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-cyclopropylpyrido[3,4-d]pyrimidin-4-yl]piperidin-4-ol
CID 90098795
ethyl 4-[5-cyclopropyl-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 90099427
[1-[5-cyclopropyl-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 90098638
1-[2-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-cyclopropylpyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 90098538
2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 90099564

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 155394421) is N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CNC(=O)c1cc2c(-c3nc(N4CCNCC4)c4c(C(C)C)cncc4n3)ccnc2[nH]1.
What is the InChIKey of N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is HYNLGUGGCXQPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-13(2)16-11-26-12-18-19(16)22(31-8-6-25-7-9-31)30-21(29-18)14-4-5-27-20-15(14)10-17(28-20)23(32)24-3/h4-5,10-13,25H,6-9H2,1-3H3,(H,24,32)(H,27,28).
What are the key properties of N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155394421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).