4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide

C25H30FN5O2 — CID 118215489

IUPAC4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc(-n3ccc4cc(F)cnc43)cc2NC2CC2)CC1
InChIInChI=1S/C25H30FN5O2/c1-25(2,33)16-3-5-19(6-4-16)30-24(32)20-14-27-22(12-21(20)29-18-7-8-18)31-10-9-15-11-17(26)13-28-23(15)31/h9-14,16,18-19,33H,3-8H2,1-2H3,(H,27,29)(H,30,32)
InChIKeyNZZARXQJLMKTPE-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.19
Rot. Bonds6

About 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide

4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 118215489) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide
PubChem CID118215489
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc(-n3ccc4cc(F)cnc43)cc2NC2CC2)CC1
InChIInChI=1S/C25H30FN5O2/c1-25(2,33)16-3-5-19(6-4-16)30-24(32)20-14-27-22(12-21(20)29-18-7-8-18)31-10-9-15-11-17(26)13-28-23(15)31/h9-14,16,18-19,33H,3-8H2,1-2H3,(H,27,29)(H,30,32)
InChIKeyNZZARXQJLMKTPE-UHFFFAOYSA-N
XLogP4.19
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-{4-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-2-Yl}-N'-(2,4-Difluorophenyl)urea
CID 68904737
US11001586, Example 55
CID 146402892
(2,6-dimethyl-4-pyridinyl)-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 146403042
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 155923771
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206508
4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753445
4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753452
US11001586, Example 74
CID 146402895
US11001586, Example 70
CID 146402900
US11001586, Example 35
CID 146402921
US11001586, Example 27
CID 146402983
US11001586, Example 79
CID 146402990

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide (CID 118215489) is 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide is CC(C)(O)C1CCC(NC(=O)c2cnc(-n3ccc4cc(F)cnc43)cc2NC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is NZZARXQJLMKTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-25(2,33)16-3-5-19(6-4-16)30-24(32)20-14-27-22(12-21(20)29-18-7-8-18)31-10-9-15-11-17(26)13-28-23(15)31/h9-14,16,18-19,33H,3-8H2,1-2H3,(H,27,29)(H,30,32).
What are the key properties of 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 118215489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).