4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide

C27H27F2N5O2 — CID 118865635

IUPAC4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide
SMILESCn1cc(C2CCN(C(=O)C3CCC(F)(F)C3)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21
InChIInChI=1S/C27H27F2N5O2/c1-33-16-22(18-6-10-34(11-7-18)26(36)19-4-8-27(28,29)14-19)21-13-20(2-3-24(21)33)32-25(35)23-12-17(15-30)5-9-31-23/h2-3,5,9,12-13,16,18-19H,4,6-8,10-11,14H2,1H3,(H,32,35)
InChIKeySXLNVNFBDCVRIC-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.84
Rot. Bonds4

About 4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide

4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide (PubChem CID 118865635) has the molecular formula C27H27F2N5O2 and a molecular weight of 491.54 g/mol. Its IUPAC name is 4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide
PubChem CID118865635
Molecular FormulaC27H27F2N5O2
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC Name4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide
SMILESCn1cc(C2CCN(C(=O)C3CCC(F)(F)C3)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21
InChIInChI=1S/C27H27F2N5O2/c1-33-16-22(18-6-10-34(11-7-18)26(36)19-4-8-27(28,29)14-19)21-13-20(2-3-24(21)33)32-25(35)23-12-17(15-30)5-9-31-23/h2-3,5,9,12-13,16,18-19H,4,6-8,10-11,14H2,1H3,(H,32,35)
InChIKeySXLNVNFBDCVRIC-UHFFFAOYSA-N
XLogP4.84
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid
CID 118865629
4-cyano-N-[1-methyl-3-[1-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-1-ium-4-yl]indol-5-yl]pyridine-2-carboxamide
CID 123281688
4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide
CID 118865601
4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide
CID 137414218
2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile
CID 147676230
tert-butyl 4-[5-[(3-cyanobenzoyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylate
CID 131746026
4-cyano-N-(3-heptan-4-yl-1-methylindol-5-yl)pyridine-2-carboxamide;2-methylpentan-3-one
CID 144782957
1-(2-cyanoethyl)-3-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-1-methylurea
CID 118865713
cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
CID 135234993
N-[4-chloro-2-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-ylidene]methyl]-6-methylphenyl]-3-cyanobenzamide
CID 160962067
N-(1,3-benzoxazol-6-yl)-4-cyanopyridine-2-carboxamide
CID 115116784
3-cyano-N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 118865568

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide (CID 118865635) is 4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide is Cn1cc(C2CCN(C(=O)C3CCC(F)(F)C3)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21.
What is the InChIKey of 4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide?
The InChIKey is SXLNVNFBDCVRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O2/c1-33-16-22(18-6-10-34(11-7-18)26(36)19-4-8-27(28,29)14-19)21-13-20(2-3-24(21)33)32-25(35)23-12-17(15-30)5-9-31-23/h2-3,5,9,12-13,16,18-19H,4,6-8,10-11,14H2,1H3,(H,32,35).
What are the key properties of 4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide?
4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide has a molecular weight of 491.54 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118865635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).