N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide

C18H27FN4O — CID 166605020

IUPACN-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(Cc2n[nH]c3c2CCCC3)CC1)C1CC1
InChIInChI=1S/C18H27FN4O/c19-18(12-20-17(24)13-5-6-13)7-9-23(10-8-18)11-16-14-3-1-2-4-15(14)21-22-16/h13H,1-12H2,(H,20,24)(H,21,22)
InChIKeyVBQAZJMZVHVQCA-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.12
Rot. Bonds5

About N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 166605020) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID166605020
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC NameN-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(Cc2n[nH]c3c2CCCC3)CC1)C1CC1
InChIInChI=1S/C18H27FN4O/c19-18(12-20-17(24)13-5-6-13)7-9-23(10-8-18)11-16-14-3-1-2-4-15(14)21-22-16/h13H,1-12H2,(H,20,24)(H,21,22)
InChIKeyVBQAZJMZVHVQCA-UHFFFAOYSA-N
XLogP2.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445
1-(4-Methylpiperidin-1-yl)-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 53593597
N-cyclohexyl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 53599146
3-{3-[(1R*,5R*)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]-3-oxopropyl}-4,5,6,7-tetrahydro-1H-indazole
CID 133131427
1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]azepan-3-amine
CID 70759251
N-tert-butyl-3-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 72042931
3-(Piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazole
CID 53017445
1-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 72841210
N-[2-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea (non-preferred name)
CID 91771576
5-(azepan-1-ylacetyl)-3-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 91842955
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 164639366
(1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide
CID 164642004

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide (CID 166605020) is N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide is O=C(NCC1(F)CCN(Cc2n[nH]c3c2CCCC3)CC1)C1CC1.
What is the InChIKey of N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is VBQAZJMZVHVQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O/c19-18(12-20-17(24)13-5-6-13)7-9-23(10-8-18)11-16-14-3-1-2-4-15(14)21-22-16/h13H,1-12H2,(H,20,24)(H,21,22).
What are the key properties of N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 334.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 166605020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).