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

C26H32N6OS — CID 122362963

IUPACN-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCC2NNC(c3ccncc3)C2C1
InChIInChI=1S/C26H32N6OS/c33-26(32-13-9-23-22(16-32)25(30-29-23)18-7-10-27-11-8-18)28-20-4-3-12-31(15-20)14-19-17-34-24-6-2-1-5-21(19)24/h1-2,5-8,10-11,17,20,22-23,25,29-30H,3-4,9,12-16H2,(H,28,33)/t20-,22?,23?,25?/m1/s1
InChIKeyDXLKFKJMSJWMLS-MWVGCYSKSA-N
MW476.65 g/mol
LogP3.51
Rot. Bonds4

About N-[(3R)-1-(1-benzothiophen-3-ylmethyl)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-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 122362963) has the molecular formula C26H32N6OS and a molecular weight of 476.65 g/mol. Its IUPAC name is N-[(3R)-1-(1-benzothiophen-3-ylmethyl)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-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID122362963
Molecular FormulaC26H32N6OS
Molecular Weight476.65 g/mol
Exact Mass476.24
IUPAC NameN-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCC2NNC(c3ccncc3)C2C1
InChIInChI=1S/C26H32N6OS/c33-26(32-13-9-23-22(16-32)25(30-29-23)18-7-10-27-11-8-18)28-20-4-3-12-31(15-20)14-19-17-34-24-6-2-1-5-21(19)24/h1-2,5-8,10-11,17,20,22-23,25,29-30H,3-4,9,12-16H2,(H,28,33)/t20-,22?,23?,25?/m1/s1
InChIKeyDXLKFKJMSJWMLS-MWVGCYSKSA-N
XLogP3.51
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-benzothiophen-3-ylmethyl)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-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 122362963) is N-[(3R)-1-(1-benzothiophen-3-ylmethyl)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-(1-benzothiophen-3-ylmethyl)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-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCC2NNC(c3ccncc3)C2C1.
What is the InChIKey of N-[(3R)-1-(1-benzothiophen-3-ylmethyl)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 DXLKFKJMSJWMLS-MWVGCYSKSA-N. The full InChI is InChI=1S/C26H32N6OS/c33-26(32-13-9-23-22(16-32)25(30-29-23)18-7-10-27-11-8-18)28-20-4-3-12-31(15-20)14-19-17-34-24-6-2-1-5-21(19)24/h1-2,5-8,10-11,17,20,22-23,25,29-30H,3-4,9,12-16H2,(H,28,33)/t20-,22?,23?,25?/m1/s1.
What are the key properties of N-[(3R)-1-(1-benzothiophen-3-ylmethyl)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-(1-benzothiophen-3-ylmethyl)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 476.65 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(1-benzothiophen-3-ylmethyl)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 122362963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).