(7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C22H26FN5O — CID 129360920

IUPAC(7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(CC1CC1)C2
InChIInChI=1S/C22H26FN5O/c1-27-11-16-12-28(10-14-2-3-14)13-19(21(16)26-27)22(29)24-7-6-15-9-25-20-5-4-17(23)8-18(15)20/h4-5,8-9,11,14,19,25H,2-3,6-7,10,12-13H2,1H3,(H,24,29)/t19-/m0/s1
InChIKeyJQHGXFOZUHFGLK-IBGZPJMESA-N
MW395.48 g/mol
LogP2.71
Rot. Bonds6

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

(7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 129360920) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is (7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID129360920
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name(7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(CC1CC1)C2
InChIInChI=1S/C22H26FN5O/c1-27-11-16-12-28(10-14-2-3-14)13-19(21(16)26-27)22(29)24-7-6-15-9-25-20-5-4-17(23)8-18(15)20/h4-5,8-9,11,14,19,25H,2-3,6-7,10,12-13H2,1H3,(H,24,29)/t19-/m0/s1
InChIKeyJQHGXFOZUHFGLK-IBGZPJMESA-N
XLogP2.71
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide with MolForge

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Related Compounds

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CID 113083574
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N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea
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methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
(7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 92621214
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 111423653
1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
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(5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 124849360
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
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N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of (7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of (7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 129360920) is (7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for (7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(CC1CC1)C2.
What is the InChIKey of (7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is JQHGXFOZUHFGLK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26FN5O/c1-27-11-16-12-28(10-14-2-3-14)13-19(21(16)26-27)22(29)24-7-6-15-9-25-20-5-4-17(23)8-18(15)20/h4-5,8-9,11,14,19,25H,2-3,6-7,10,12-13H2,1H3,(H,24,29)/t19-/m0/s1.
What are the key properties of (7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
(7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 129360920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).