4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide

C22H25ClFN5O2 — CID 177171027

IUPAC4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(Cl)cc(C3CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1
InChIInChI=1S/C22H25ClFN5O2/c1-27(2)22(31)18-12-16-17(23)11-15(20(24)21(16)26-18)14-5-3-8-28(13-14)19(30)6-10-29-9-4-7-25-29/h4,7,9,11-12,14,26H,3,5-6,8,10,13H2,1-2H3
InChIKeyLQKSJGLSJQPKNV-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.65
Rot. Bonds5

About 4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide

4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 177171027) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is 4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
PubChem CID177171027
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.93 g/mol
Exact Mass445.17
IUPAC Name4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(Cl)cc(C3CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1
InChIInChI=1S/C22H25ClFN5O2/c1-27(2)22(31)18-12-16-17(23)11-15(20(24)21(16)26-18)14-5-3-8-28(13-14)19(30)6-10-29-9-4-7-25-29/h4,7,9,11-12,14,26H,3,5-6,8,10,13H2,1-2H3
InChIKeyLQKSJGLSJQPKNV-UHFFFAOYSA-N
XLogP3.65
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxylic acid
CID 177170580
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-[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
4-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[(3R)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176932201
4-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indazol-1-yl]piperidin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[(3R)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176932510
4-[2-cyclopropyl-4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-1-yl]-3-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[(3R)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176931713
4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170654
4-chloro-7-fluoro-1H-indole-2-carboxylic acid;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 177170280
N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 176931722
7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide
CID 176933760
N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176933073

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide (CID 177171027) is 4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2c(Cl)cc(C3CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1.
What is the InChIKey of 4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is LQKSJGLSJQPKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-27(2)22(31)18-12-16-17(23)11-15(20(24)21(16)26-18)14-5-3-8-28(13-14)19(30)6-10-29-9-4-7-25-29/h4,7,9,11-12,14,26H,3,5-6,8,10,13H2,1-2H3.
What are the key properties of 4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide?
4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177171027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).