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

C39H46N12O2S — CID 142869997

IUPACN-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(5-piperidin-4-yl-3-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide
SMILESCCCc1cnn2c(NS(=O)c3cccnc3)cc(C3CCNCC3)nc12.O=C(Nc1cc(C2CCCNC2)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C20H22N6O.C19H24N6OS/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;1-2-4-15-12-22-25-18(24-27(26)16-5-3-8-21-13-16)11-17(23-19(15)25)14-6-9-20-10-7-14/h2,4,8-9,11-14,21H,1,3,5-7,10H2,(H,25,27);3,5,8,11-14,20,24H,2,4,6-7,9-10H2,1H3
InChIKeyGZCGPZBJYHHMMV-UHFFFAOYSA-N
MW746.95 g/mol
LogP5.40
Rot. Bonds10

About N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(5-piperidin-4-yl-3-propylpyrazolo[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-(5-piperidin-4-yl-3-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide (PubChem CID 142869997) has the molecular formula C39H46N12O2S and a molecular weight of 746.95 g/mol. Its IUPAC name is N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(5-piperidin-4-yl-3-propylpyrazolo[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-(5-piperidin-4-yl-3-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide
PubChem CID142869997
Molecular FormulaC39H46N12O2S
Molecular Weight746.95 g/mol
Exact Mass746.36
IUPAC NameN-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(5-piperidin-4-yl-3-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide
SMILESCCCc1cnn2c(NS(=O)c3cccnc3)cc(C3CCNCC3)nc12.O=C(Nc1cc(C2CCCNC2)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C20H22N6O.C19H24N6OS/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;1-2-4-15-12-22-25-18(24-27(26)16-5-3-8-21-13-16)11-17(23-19(15)25)14-6-9-20-10-7-14/h2,4,8-9,11-14,21H,1,3,5-7,10H2,(H,25,27);3,5,8,11-14,20,24H,2,4,6-7,9-10H2,1H3
InChIKeyGZCGPZBJYHHMMV-UHFFFAOYSA-N
XLogP5.40
TPSA168.42 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 55.40
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-(5-piperidin-4-yl-3-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide with MolForge

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Launch Full Analysis

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-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554753
N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554932
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-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328097
N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328101
6-bromo-N-[1-(5-methyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328128

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-(5-piperidin-4-yl-3-propylpyrazolo[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-(5-piperidin-4-yl-3-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide (CID 142869997) is N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(5-piperidin-4-yl-3-propylpyrazolo[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-(5-piperidin-4-yl-3-propylpyrazolo[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-(5-piperidin-4-yl-3-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide is CCCc1cnn2c(NS(=O)c3cccnc3)cc(C3CCNCC3)nc12.O=C(Nc1cc(C2CCCNC2)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-(5-piperidin-4-yl-3-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide?
The InChIKey is GZCGPZBJYHHMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O.C19H24N6OS/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;1-2-4-15-12-22-25-18(24-27(26)16-5-3-8-21-13-16)11-17(23-19(15)25)14-6-9-20-10-7-14/h2,4,8-9,11-14,21H,1,3,5-7,10H2,(H,25,27);3,5,8,11-14,20,24H,2,4,6-7,9-10H2,1H3.
What are the key properties of N-(3-cyclopropyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(5-piperidin-4-yl-3-propylpyrazolo[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-(5-piperidin-4-yl-3-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide has a molecular weight of 746.95 g/mol, XLogP of 5.40, 10 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-(5-piperidin-4-yl-3-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfinamide is sourced from PubChem (CID 142869997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).