N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H29N9O3S — CID 66556294

IUPACN-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(C)c1ccc(-n2nc(C3CCN(S(C)(=O)=O)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C24H29N9O3S/c1-16(25-2)18-5-6-21(27-14-18)33-22(29-24(34)19-15-28-32-10-4-9-26-23(19)32)13-20(30-33)17-7-11-31(12-8-17)37(3,35)36/h4-6,9-10,13-17,25H,7-8,11-12H2,1-3H3,(H,29,34)
InChIKeyNIDNUEYTBQKJNU-UHFFFAOYSA-N
MW523.62 g/mol
LogP1.98
Rot. Bonds7

About N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66556294) has the molecular formula C24H29N9O3S and a molecular weight of 523.62 g/mol. Its IUPAC name is N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66556294
Molecular FormulaC24H29N9O3S
Molecular Weight523.62 g/mol
Exact Mass523.21
IUPAC NameN-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(C)c1ccc(-n2nc(C3CCN(S(C)(=O)=O)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C24H29N9O3S/c1-16(25-2)18-5-6-21(27-14-18)33-22(29-24(34)19-15-28-32-10-4-9-26-23(19)32)13-20(30-33)17-7-11-31(12-8-17)37(3,35)36/h4-6,9-10,13-17,25H,7-8,11-12H2,1-3H3,(H,29,34)
InChIKeyNIDNUEYTBQKJNU-UHFFFAOYSA-N
XLogP1.98
TPSA139.41 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.62
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66556294) is N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(C)c1ccc(-n2nc(C3CCN(S(C)(=O)=O)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.
What is the InChIKey of N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NIDNUEYTBQKJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O3S/c1-16(25-2)18-5-6-21(27-14-18)33-22(29-24(34)19-15-28-32-10-4-9-26-23(19)32)13-20(30-33)17-7-11-31(12-8-17)37(3,35)36/h4-6,9-10,13-17,25H,7-8,11-12H2,1-3H3,(H,29,34).
What are the key properties of N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 523.62 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66556294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).