N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

C39H42N12O3S — CID 143067646

IUPACN-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C2CCC(C3CC3c3cnn4c(NS(=O)(=O)c5cccnc5)cc(C5CCNCC5)nc34)NC2)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C39H42N12O3S/c52-39(26-3-1-11-41-18-26)48-35-16-34(47-37-30(23-5-6-23)21-44-50(35)37)25-7-8-32(43-19-25)29-15-28(29)31-22-45-51-36(49-55(53,54)27-4-2-12-42-20-27)17-33(46-38(31)51)24-9-13-40-14-10-24/h1-4,11-12,16-18,20-25,28-29,32,40,43,49H,5-10,13-15,19H2,(H,48,52)
InChIKeyWZXDNKXQZVUOQK-UHFFFAOYSA-N
MW758.91 g/mol
LogP4.60
Rot. Bonds10

About N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (PubChem CID 143067646) has the molecular formula C39H42N12O3S and a molecular weight of 758.91 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
PubChem CID143067646
Molecular FormulaC39H42N12O3S
Molecular Weight758.91 g/mol
Exact Mass758.32
IUPAC NameN-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C2CCC(C3CC3c3cnn4c(NS(=O)(=O)c5cccnc5)cc(C5CCNCC5)nc34)NC2)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C39H42N12O3S/c52-39(26-3-1-11-41-18-26)48-35-16-34(47-37-30(23-5-6-23)21-44-50(35)37)25-7-8-32(43-19-25)29-15-28(29)31-22-45-51-36(49-55(53,54)27-4-2-12-42-20-27)17-33(46-38(31)51)24-9-13-40-14-10-24/h1-4,11-12,16-18,20-25,28-29,32,40,43,49H,5-10,13-15,19H2,(H,48,52)
InChIKeyWZXDNKXQZVUOQK-UHFFFAOYSA-N
XLogP4.60
TPSA185.49 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.91
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide 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-[(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
N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328248
N-[3-(1-methylsulfonylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328560

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (CID 143067646) is N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is O=C(Nc1cc(C2CCC(C3CC3c3cnn4c(NS(=O)(=O)c5cccnc5)cc(C5CCNCC5)nc34)NC2)nc2c(C3CC3)cnn12)c1cccnc1.
What is the InChIKey of N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The InChIKey is WZXDNKXQZVUOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N12O3S/c52-39(26-3-1-11-41-18-26)48-35-16-34(47-37-30(23-5-6-23)21-44-50(35)37)25-7-8-32(43-19-25)29-15-28(29)31-22-45-51-36(49-55(53,54)27-4-2-12-42-20-27)17-33(46-38(31)51)24-9-13-40-14-10-24/h1-4,11-12,16-18,20-25,28-29,32,40,43,49H,5-10,13-15,19H2,(H,48,52).
What are the key properties of N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide has a molecular weight of 758.91 g/mol, XLogP of 4.60, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143067646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).