N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

C23H32N6OS — CID 127053729

IUPACN-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccsc1CN1CCC[C@@H](NC(=O)N2CCC3NNC(c4ccncc4)C3C2)C1
InChIInChI=1S/C23H32N6OS/c1-16-7-12-31-21(16)15-28-10-2-3-18(13-28)25-23(30)29-11-6-20-19(14-29)22(27-26-20)17-4-8-24-9-5-17/h4-5,7-9,12,18-20,22,26-27H,2-3,6,10-11,13-15H2,1H3,(H,25,30)/t18-,19?,20?,22?/m1/s1
InChIKeyQOLIEYPNZIGAIN-USFHKRFISA-N
MW440.62 g/mol
LogP2.67
Rot. Bonds4

About N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 127053729) has the molecular formula C23H32N6OS and a molecular weight of 440.62 g/mol. Its IUPAC name is N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID127053729
Molecular FormulaC23H32N6OS
Molecular Weight440.62 g/mol
Exact Mass440.24
IUPAC NameN-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccsc1CN1CCC[C@@H](NC(=O)N2CCC3NNC(c4ccncc4)C3C2)C1
InChIInChI=1S/C23H32N6OS/c1-16-7-12-31-21(16)15-28-10-2-3-18(13-28)25-23(30)29-11-6-20-19(14-29)22(27-26-20)17-4-8-24-9-5-17/h4-5,7-9,12,18-20,22,26-27H,2-3,6,10-11,13-15H2,1H3,(H,25,30)/t18-,19?,20?,22?/m1/s1
InChIKeyQOLIEYPNZIGAIN-USFHKRFISA-N
XLogP2.67
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 127053729) is N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccsc1CN1CCC[C@@H](NC(=O)N2CCC3NNC(c4ccncc4)C3C2)C1.
What is the InChIKey of N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is QOLIEYPNZIGAIN-USFHKRFISA-N. The full InChI is InChI=1S/C23H32N6OS/c1-16-7-12-31-21(16)15-28-10-2-3-18(13-28)25-23(30)29-11-6-20-19(14-29)22(27-26-20)17-4-8-24-9-5-17/h4-5,7-9,12,18-20,22,26-27H,2-3,6,10-11,13-15H2,1H3,(H,25,30)/t18-,19?,20?,22?/m1/s1.
What are the key properties of N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 440.62 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 127053729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).