4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide

C23H29ClN6O — CID 69084255

IUPAC4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1cn(-c2ncccn2)c2nccc(Cl)c12)N1CCCCC1
InChIInChI=1S/C23H29ClN6O/c1-16(2)13-17(29-11-4-3-5-12-29)14-28-22(31)18-15-30(23-26-8-6-9-27-23)21-20(18)19(24)7-10-25-21/h6-10,15-17H,3-5,11-14H2,1-2H3,(H,28,31)
InChIKeyNNHAWAGMICDUJE-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.10
Rot. Bonds7

About 4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide

4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 69084255) has the molecular formula C23H29ClN6O and a molecular weight of 440.98 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID69084255
Molecular FormulaC23H29ClN6O
Molecular Weight440.98 g/mol
Exact Mass440.21
IUPAC Name4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1cn(-c2ncccn2)c2nccc(Cl)c12)N1CCCCC1
InChIInChI=1S/C23H29ClN6O/c1-16(2)13-17(29-11-4-3-5-12-29)14-28-22(31)18-15-30(23-26-8-6-9-27-23)21-20(18)19(24)7-10-25-21/h6-10,15-17H,3-5,11-14H2,1-2H3,(H,28,31)
InChIKeyNNHAWAGMICDUJE-UHFFFAOYSA-N
XLogP4.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69082923
4-chloro-1-[(5Z,7Z)-3,4-dihydroazocin-2-yl]-N-[2-(2-methylpyrimidin-5-yl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 143857542
4-chloro-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012384
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012733
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 70972765
1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 69079499
4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide
CID 123805184
N-[2-(6-methoxy-3-pyridinyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 25190407
2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide
CID 57009579
4-chloro-N-[[1-[(3S)-3-(propan-2-ylamino)piperidin-1-yl]cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69082166
4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69083928

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 69084255) is 4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)CC(CNC(=O)c1cn(-c2ncccn2)c2nccc(Cl)c12)N1CCCCC1.
What is the InChIKey of 4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is NNHAWAGMICDUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O/c1-16(2)13-17(29-11-4-3-5-12-29)14-28-22(31)18-15-30(23-26-8-6-9-27-23)21-20(18)19(24)7-10-25-21/h6-10,15-17H,3-5,11-14H2,1-2H3,(H,28,31).
What are the key properties of 4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 69084255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).