[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone

C28H32FN11O — CID 156697034

IUPAC[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCC(N3CC4CC(C3)N4C(=O)c3ccc(-n4cc(F)cn4)nc3)CC2)n1
InChIInChI=1S/C28H32FN11O/c1-17-9-24(33-25-10-18(2)35-36-25)34-28(32-17)37-7-5-21(6-8-37)38-15-22-11-23(16-38)40(22)27(41)19-3-4-26(30-12-19)39-14-20(29)13-31-39/h3-4,9-10,12-14,21-23H,5-8,11,15-16H2,1-2H3,(H2,32,33,34,35,36)
InChIKeyUTYGXQUBDADQLB-UHFFFAOYSA-N
MW557.64 g/mol
LogP2.85
Rot. Bonds6

About [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone

[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone (PubChem CID 156697034) has the molecular formula C28H32FN11O and a molecular weight of 557.64 g/mol. Its IUPAC name is [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone.

Molecular Properties

Compound Name[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
PubChem CID156697034
Molecular FormulaC28H32FN11O
Molecular Weight557.64 g/mol
Exact Mass557.28
IUPAC Name[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCC(N3CC4CC(C3)N4C(=O)c3ccc(-n4cc(F)cn4)nc3)CC2)n1
InChIInChI=1S/C28H32FN11O/c1-17-9-24(33-25-10-18(2)35-36-25)34-28(32-17)37-7-5-21(6-8-37)38-15-22-11-23(16-38)40(22)27(41)19-3-4-26(30-12-19)39-14-20(29)13-31-39/h3-4,9-10,12-14,21-23H,5-8,11,15-16H2,1-2H3,(H2,32,33,34,35,36)
InChIKeyUTYGXQUBDADQLB-UHFFFAOYSA-N
XLogP2.85
TPSA123.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.64
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 25101485
N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide
CID 49865038
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377960
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775398
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(6-fluoropyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775852
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776659
2-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one
CID 155177021
2-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-azaspiro[5.5]undecan-1-one
CID 155177171
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 25101638
(5S)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-2-one
CID 25101637
2-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 146635722
2-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one
CID 155177044

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone?
The IUPAC name of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone (CID 156697034) is [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone.
What is the SMILES notation for [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone?
The canonical SMILES for [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC(N3CC4CC(C3)N4C(=O)c3ccc(-n4cc(F)cn4)nc3)CC2)n1.
What is the InChIKey of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone?
The InChIKey is UTYGXQUBDADQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN11O/c1-17-9-24(33-25-10-18(2)35-36-25)34-28(32-17)37-7-5-21(6-8-37)38-15-22-11-23(16-38)40(22)27(41)19-3-4-26(30-12-19)39-14-20(29)13-31-39/h3-4,9-10,12-14,21-23H,5-8,11,15-16H2,1-2H3,(H2,32,33,34,35,36).
What are the key properties of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone?
[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone has a molecular weight of 557.64 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[3-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone is sourced from PubChem (CID 156697034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).