N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

C17H22N6O3S — CID 90013066

IUPACN-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1Cc2cn[nH]c2C1
InChIInChI=1S/C17H22N6O3S/c24-17(22-11-13-8-20-21-16(13)12-22)19-9-14-4-5-15(10-18-14)27(25,26)23-6-2-1-3-7-23/h4-5,8,10H,1-3,6-7,9,11-12H2,(H,19,24)(H,20,21)
InChIKeyGSMPBOBRERERMQ-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.20
Rot. Bonds4

About N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 90013066) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID90013066
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC NameN-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1Cc2cn[nH]c2C1
InChIInChI=1S/C17H22N6O3S/c24-17(22-11-13-8-20-21-16(13)12-22)19-9-14-4-5-15(10-18-14)27(25,26)23-6-2-1-3-7-23/h4-5,8,10H,1-3,6-7,9,11-12H2,(H,19,24)(H,20,21)
InChIKeyGSMPBOBRERERMQ-UHFFFAOYSA-N
XLogP1.20
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 90013066) is N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1Cc2cn[nH]c2C1.
What is the InChIKey of N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is GSMPBOBRERERMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c24-17(22-11-13-8-20-21-16(13)12-22)19-9-14-4-5-15(10-18-14)27(25,26)23-6-2-1-3-7-23/h4-5,8,10H,1-3,6-7,9,11-12H2,(H,19,24)(H,20,21).
What are the key properties of N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 90013066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).