N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide

C27H35N5O2 — CID 176933073

IUPACN-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
SMILESCC(C)c1cc([C@@H]2CCCN(C(=O)CCn3cccn3)C2)cc2[nH]c(C(=O)N(C)C3CC3)cc12
InChIInChI=1S/C27H35N5O2/c1-18(2)22-14-20(15-24-23(22)16-25(29-24)27(34)30(3)21-7-8-21)19-6-4-11-31(17-19)26(33)9-13-32-12-5-10-28-32/h5,10,12,14-16,18-19,21,29H,4,6-9,11,13,17H2,1-3H3/t19-/m1/s1
InChIKeyQYEPNCDWHFTIFX-LJQANCHMSA-N
MW461.61 g/mol
LogP4.52
Rot. Bonds7

About N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide

N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 176933073) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
PubChem CID176933073
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
SMILESCC(C)c1cc([C@@H]2CCCN(C(=O)CCn3cccn3)C2)cc2[nH]c(C(=O)N(C)C3CC3)cc12
InChIInChI=1S/C27H35N5O2/c1-18(2)22-14-20(15-24-23(22)16-25(29-24)27(34)30(3)21-7-8-21)19-6-4-11-31(17-19)26(33)9-13-32-12-5-10-28-32/h5,10,12,14-16,18-19,21,29H,4,6-9,11,13,17H2,1-3H3/t19-/m1/s1
InChIKeyQYEPNCDWHFTIFX-LJQANCHMSA-N
XLogP4.52
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 176931616
1-[(3S)-3-[7-fluoro-2-(piperidine-1-carbonyl)-4-propan-2-yl-1H-indol-6-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 176931731
4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 177171027
N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 176931722
N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176933698
4-chloro-7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxylic acid
CID 177170580
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 112630745
4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176931981
2-methyl-7-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 92601024
2-methyl-7-[(3R)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 92601023
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 42533745
1-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 92588608

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide (CID 176933073) is N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide is CC(C)c1cc([C@@H]2CCCN(C(=O)CCn3cccn3)C2)cc2[nH]c(C(=O)N(C)C3CC3)cc12.
What is the InChIKey of N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is QYEPNCDWHFTIFX-LJQANCHMSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-18(2)22-14-20(15-24-23(22)16-25(29-24)27(34)30(3)21-7-8-21)19-6-4-11-31(17-19)26(33)9-13-32-12-5-10-28-32/h5,10,12,14-16,18-19,21,29H,4,6-9,11,13,17H2,1-3H3/t19-/m1/s1.
What are the key properties of N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide?
N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176933073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).