[2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C19H25N5O — CID 134697352

IUPAC[2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1n[nH]c2c1CCCC2)c1ncccc1C(=O)N1CCCC1
InChIInChI=1S/C19H25N5O/c1-23(13-17-14-7-2-3-9-16(14)21-22-17)18-15(8-6-10-20-18)19(25)24-11-4-5-12-24/h6,8,10H,2-5,7,9,11-13H2,1H3,(H,21,22)
InChIKeyPWYGAEICKANSCX-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.56
Rot. Bonds4

About [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 134697352) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID134697352
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1n[nH]c2c1CCCC2)c1ncccc1C(=O)N1CCCC1
InChIInChI=1S/C19H25N5O/c1-23(13-17-14-7-2-3-9-16(14)21-22-17)18-15(8-6-10-20-18)19(25)24-11-4-5-12-24/h6,8,10H,2-5,7,9,11-13H2,1H3,(H,21,22)
InChIKeyPWYGAEICKANSCX-UHFFFAOYSA-N
XLogP2.56
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 131942429
[2-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133398555
[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 45239495
4-(azepan-1-ylmethyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)benzamide
CID 135090165
4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155505936
N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine
CID 74233572
N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 77079827
N,4-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137339686
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 56722576
N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide
CID 90650169
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 131906751
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 154820699

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 134697352) is [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is CN(Cc1n[nH]c2c1CCCC2)c1ncccc1C(=O)N1CCCC1.
What is the InChIKey of [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is PWYGAEICKANSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23(13-17-14-7-2-3-9-16(14)21-22-17)18-15(8-6-10-20-18)19(25)24-11-4-5-12-24/h6,8,10H,2-5,7,9,11-13H2,1H3,(H,21,22).
What are the key properties of [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134697352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).