N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

C43H52N12O4 — CID 142869987

IUPACN-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESCCCc1cnn2c(NC(=O)c3cccnc3)cc(N3CCCCC3CCO)nc12.O=C(Nc1cc(N2CCCCC2CO)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C22H28N6O2.C21H24N6O2/c1-2-6-16-15-24-28-20(26-22(30)17-7-5-10-23-14-17)13-19(25-21(16)28)27-11-4-3-8-18(27)9-12-29;28-13-16-5-1-2-9-26(16)18-10-19(25-21(29)15-4-3-8-22-11-15)27-20(24-18)17(12-23-27)14-6-7-14/h5,7,10,13-15,18,29H,2-4,6,8-9,11-12H2,1H3,(H,26,30);3-4,8,10-12,14,16,28H,1-2,5-7,9,13H2,(H,25,29)
InChIKeyADZFAXRXWSHBGL-UHFFFAOYSA-N
MW800.97 g/mol
LogP5.68
Rot. Bonds12

About N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (PubChem CID 142869987) has the molecular formula C43H52N12O4 and a molecular weight of 800.97 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
PubChem CID142869987
Molecular FormulaC43H52N12O4
Molecular Weight800.97 g/mol
Exact Mass800.42
IUPAC NameN-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESCCCc1cnn2c(NC(=O)c3cccnc3)cc(N3CCCCC3CCO)nc12.O=C(Nc1cc(N2CCCCC2CO)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C22H28N6O2.C21H24N6O2/c1-2-6-16-15-24-28-20(26-22(30)17-7-5-10-23-14-17)13-19(25-21(16)28)27-11-4-3-8-18(27)9-12-29;28-13-16-5-1-2-9-26(16)18-10-19(25-21(29)15-4-3-8-22-11-15)27-20(24-18)17(12-23-27)14-6-7-14/h5,7,10,13-15,18,29H,2-4,6,8-9,11-12H2,1H3,(H,26,30);3-4,8,10-12,14,16,28H,1-2,5-7,9,13H2,(H,25,29)
InChIKeyADZFAXRXWSHBGL-UHFFFAOYSA-N
XLogP5.68
TPSA191.30 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500800.97
LogP ≤ 55.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

1-(4-{4-Morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
CID 44182308
N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66557142
N-[1-(5-methyl-2-pyridinyl)-3-[1-(oxan-3-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328098
N-[3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328946
N-[3-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357978
N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90272130
N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[2-[[5-[(2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl]-4-[(3-fluorooxan-4-yl)amino]-2-pyridinyl]-pyrazolo[1,5-a]pyrimidin-5-ylamino]cyclobutyl]amino]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide
CID 123270845
6-[5-cyano-2-[5-[[2-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-5-[(2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl]-4-pyridinyl]amino]oxan-3-yl]pyrazolo[5,4-b]pyridin-2-ium-1-yl]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxan-4-ylamino)pyridine-3-carboxamide
CID 123659899
N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[2-[[5-[(2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl]-4-(propan-2-ylamino)-2-pyridinyl]-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]amino]-6-[(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]pyridine-3-carboxamide
CID 123974767
4-[[2-fluoro-3-[[4-[(3-fluorocyclopentyl)amino]-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]-(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]pyridine-3-carboxamide
CID 144624885
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-[[5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-(propan-2-ylamino)-2-pyridinyl]-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]amino]-6-[(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]pyridine-3-carboxamide
CID 144624937
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155213572

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (CID 142869987) is N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is CCCc1cnn2c(NC(=O)c3cccnc3)cc(N3CCCCC3CCO)nc12.O=C(Nc1cc(N2CCCCC2CO)nc2c(C3CC3)cnn12)c1cccnc1.
What is the InChIKey of N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The InChIKey is ADZFAXRXWSHBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2.C21H24N6O2/c1-2-6-16-15-24-28-20(26-22(30)17-7-5-10-23-14-17)13-19(25-21(16)28)27-11-4-3-8-18(27)9-12-29;28-13-16-5-1-2-9-26(16)18-10-19(25-21(29)15-4-3-8-22-11-15)27-20(24-18)17(12-23-27)14-6-7-14/h5,7,10,13-15,18,29H,2-4,6,8-9,11-12H2,1H3,(H,26,30);3-4,8,10-12,14,16,28H,1-2,5-7,9,13H2,(H,25,29).
What are the key properties of N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide has a molecular weight of 800.97 g/mol, XLogP of 5.68, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[5-[2-(2-hydroxyethyl)piperidin-1-yl]-3-propylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142869987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).