N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide

C39H44N12O2S — CID 142869956

IUPACN-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide
SMILESO=C(Nc1cc(C2CCCNC2)nc2c(C3CC3)cnn12)c1cccnc1.O=S(Nc1cc(C2CCNCC2)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C20H22N6O.C19H22N6OS/c27-20(15-4-2-8-22-11-15)25-18-9-17(14-3-1-7-21-10-14)24-19-16(13-5-6-13)12-23-26(18)19;26-27(15-2-1-7-21-11-15)24-18-10-17(14-5-8-20-9-6-14)23-19-16(13-3-4-13)12-22-25(18)19/h2,4,8-9,11-14,21H,1,3,5-7,10H2,(H,25,27);1-2,7,10-14,20,24H,3-6,8-9H2
InChIKeyXBOIOWMUSCULLB-UHFFFAOYSA-N
MW744.93 g/mol
LogP5.32
Rot. Bonds9

About N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide

N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide (PubChem CID 142869956) has the molecular formula C39H44N12O2S and a molecular weight of 744.93 g/mol. Its IUPAC name is N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide
PubChem CID142869956
Molecular FormulaC39H44N12O2S
Molecular Weight744.93 g/mol
Exact Mass744.34
IUPAC NameN-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide
SMILESO=C(Nc1cc(C2CCCNC2)nc2c(C3CC3)cnn12)c1cccnc1.O=S(Nc1cc(C2CCNCC2)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C20H22N6O.C19H22N6OS/c27-20(15-4-2-8-22-11-15)25-18-9-17(14-3-1-7-21-10-14)24-19-16(13-5-6-13)12-23-26(18)19;26-27(15-2-1-7-21-11-15)24-18-10-17(14-5-8-20-9-6-14)23-19-16(13-3-4-13)12-22-25(18)19/h2,4,8-9,11-14,21H,1,3,5-7,10H2,(H,25,27);1-2,7,10-14,20,24H,3-6,8-9H2
InChIKeyXBOIOWMUSCULLB-UHFFFAOYSA-N
XLogP5.32
TPSA168.42 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500744.93
LogP ≤ 55.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide with MolForge

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Related Compounds

N-[1-(5-methyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328387
N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90271946
N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556293
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
N-[1-(5-formyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556296
N-[1-[5-(aminomethyl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68327797
N-[1-(5-cyclopropyl-2-pyridinyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328014
N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328101
N-[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328192
N-[1-(5,6-dimethyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328194
N-[1-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328221
N-[1-[5-[(1S)-1-aminoethyl]-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328246

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide?
The IUPAC name of N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide (CID 142869956) is N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide.
What is the SMILES notation for N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide?
The canonical SMILES for N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide is O=C(Nc1cc(C2CCCNC2)nc2c(C3CC3)cnn12)c1cccnc1.O=S(Nc1cc(C2CCNCC2)nc2c(C3CC3)cnn12)c1cccnc1.
What is the InChIKey of N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide?
The InChIKey is XBOIOWMUSCULLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O.C19H22N6OS/c27-20(15-4-2-8-22-11-15)25-18-9-17(14-3-1-7-21-10-14)24-19-16(13-5-6-13)12-23-26(18)19;26-27(15-2-1-7-21-11-15)24-18-10-17(14-5-8-20-9-6-14)23-19-16(13-3-4-13)12-22-25(18)19/h2,4,8-9,11-14,21H,1,3,5-7,10H2,(H,25,27);1-2,7,10-14,20,24H,3-6,8-9H2.
What are the key properties of N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide?
N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide has a molecular weight of 744.93 g/mol, XLogP of 5.32, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide is sourced from PubChem (CID 142869956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).