N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide

C22H29N5O2 — CID 155881998

IUPACN-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide
SMILESCn1nc(CCNC(=O)c2ccccn2)c2c1CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C22H29N5O2/c1-26-20-10-13-27(21(28)14-16-6-2-3-7-16)15-17(20)18(25-26)9-12-24-22(29)19-8-4-5-11-23-19/h4-5,8,11,16H,2-3,6-7,9-10,12-15H2,1H3,(H,24,29)
InChIKeyMJGGTYWEXVOIGL-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.25
Rot. Bonds6

About N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide

N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide (PubChem CID 155881998) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide
PubChem CID155881998
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide
SMILESCn1nc(CCNC(=O)c2ccccn2)c2c1CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C22H29N5O2/c1-26-20-10-13-27(21(28)14-16-6-2-3-7-16)15-17(20)18(25-26)9-12-24-22(29)19-8-4-5-11-23-19/h4-5,8,11,16H,2-3,6-7,9-10,12-15H2,1H3,(H,24,29)
InChIKeyMJGGTYWEXVOIGL-UHFFFAOYSA-N
XLogP2.25
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide (CID 155881998) is N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide is Cn1nc(CCNC(=O)c2ccccn2)c2c1CCN(C(=O)CC1CCCC1)C2.
What is the InChIKey of N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is MJGGTYWEXVOIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-26-20-10-13-27(21(28)14-16-6-2-3-7-16)15-17(20)18(25-26)9-12-24-22(29)19-8-4-5-11-23-19/h4-5,8,11,16H,2-3,6-7,9-10,12-15H2,1H3,(H,24,29).
What are the key properties of N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide?
N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-cyclopentylacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 155881998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).