2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide

C29H33N7O2 — CID 162660641

IUPAC2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide
SMILESCC(C)N1CCC(Oc2cc(C(=O)Nc3cc4cc(-c5cnn6c5CCNC6)ccc4cn3)ccn2)CC1
InChIInChI=1S/C29H33N7O2/c1-19(2)35-11-7-24(8-12-35)38-28-15-21(5-10-31-28)29(37)34-27-14-23-13-20(3-4-22(23)16-32-27)25-17-33-36-18-30-9-6-26(25)36/h3-5,10,13-17,19,24,30H,6-9,11-12,18H2,1-2H3,(H,32,34,37)
InChIKeyLGVCVMQMWOAEJC-UHFFFAOYSA-N
MW511.63 g/mol
LogP4.10
Rot. Bonds6

About 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide

2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide (PubChem CID 162660641) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide
PubChem CID162660641
Molecular FormulaC29H33N7O2
Molecular Weight511.63 g/mol
Exact Mass511.27
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide
SMILESCC(C)N1CCC(Oc2cc(C(=O)Nc3cc4cc(-c5cnn6c5CCNC6)ccc4cn3)ccn2)CC1
InChIInChI=1S/C29H33N7O2/c1-19(2)35-11-7-24(8-12-35)38-28-15-21(5-10-31-28)29(37)34-27-14-23-13-20(3-4-22(23)16-32-27)25-17-33-36-18-30-9-6-26(25)36/h3-5,10,13-17,19,24,30H,6-9,11-12,18H2,1-2H3,(H,32,34,37)
InChIKeyLGVCVMQMWOAEJC-UHFFFAOYSA-N
XLogP4.10
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

4-(1-methylpiperidin-4-yl)oxy-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]benzamide
CID 132056693
US9533987, example 55
CID 86342512
US9533987, example 71
CID 86343083
2-[2-(dimethylamino)ethoxy]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056508
2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056681
2-(azetidin-3-yloxy)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056855
US9533987, example 66
CID 135120937
US9533987, example 72
CID 135120939
US9533987, example 80
CID 135120941
4-(difluoromethoxy)-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]benzamide
CID 162674203
1-benzyl-3-[3-(dimethylamino)propoxy]-N-isoquinolin-1-ylpyrazole-5-carboxamide
CID 10320444
1-(6-Ethoxy-pyridin-3-ylmethyl)-3-phenyl-1H-pyrazole-4-carboxylic acid (1-amino-isoquinolin-6-ylmethyl)-amide
CID 121291114

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide (CID 162660641) is 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide is CC(C)N1CCC(Oc2cc(C(=O)Nc3cc4cc(-c5cnn6c5CCNC6)ccc4cn3)ccn2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide?
The InChIKey is LGVCVMQMWOAEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-19(2)35-11-7-24(8-12-35)38-28-15-21(5-10-31-28)29(37)34-27-14-23-13-20(3-4-22(23)16-32-27)25-17-33-36-18-30-9-6-26(25)36/h3-5,10,13-17,19,24,30H,6-9,11-12,18H2,1-2H3,(H,32,34,37).
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide?
2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 162660641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).