bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide

bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide (PubChem CID 157369635) has the molecular formula C105H125Cl3FN17O4 and a molecular weight of 1814.63 g/mol. Its IUPAC name is bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name	bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide
PubChem CID	157369635
Molecular Formula	C105H125Cl3FN17O4
Molecular Weight	1814.63 g/mol
Exact Mass	1811.92
IUPAC Name	bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide
SMILES	CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2[C@H]2CN=CN2)[nH]c2ccc(Cl)cc12.CCc1c(C(=O)NCCc2ncc(N3CCCCC3)cc2C2CC2)[nH]c2c(F)cccc12.CCc1c(C(=O)NCCc2ncc(N3CCCCC3)cc2C2CC2)[nH]c2ccc(Cl)cc12.CCc1c(C(=O)NCCc2ncc(N3CCCCC3)cc2C2CC2)[nH]c2ccc(Cl)cc12
InChI	InChI=1S/C27H32ClN5O.2C26H31ClN4O.C26H31FN4O/c1-2-21-23-14-19(28)7-9-24(23)32-26(21)27(34)30-11-10-18-6-8-20(33-12-4-3-5-13-33)15-22(18)25-16-29-17-31-25;21-2-20-22-14-18(27)8-9-24(22)30-25(20)26(32)28-11-10-23-21(17-6-7-17)15-19(16-29-23)31-12-4-3-5-13-31;1-2-19-20-7-6-8-22(27)24(20)30-25(19)26(32)28-12-11-23-21(17-9-10-17)15-18(16-29-23)31-13-4-3-5-14-31/h6-9,14-15,17,25,32H,2-5,10-13,16H2,1H3,(H,29,31)(H,30,34);28-9,14-17,30H,2-7,10-13H2,1H3,(H,28,32);6-8,15-17,30H,2-5,9-14H2,1H3,(H,28,32)/t25-;;;/m1.../s1
InChIKey	BJPIKONHKVMPJA-HZKZUFNGSA-N
XLogP	21.36
TPSA	255.58 Å²
H-Bond Donors	9
H-Bond Acceptors	13
Rotatable Bonds	28
Heavy Atoms	130
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1814.63
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide?

The IUPAC name of bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide (CID 157369635) is bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide.

What is the SMILES notation for bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide?

The canonical SMILES for bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide is CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2[C@H]2CN=CN2)[nH]c2ccc(Cl)cc12.CCc1c(C(=O)NCCc2ncc(N3CCCCC3)cc2C2CC2)[nH]c2c(F)cccc12.CCc1c(C(=O)NCCc2ncc(N3CCCCC3)cc2C2CC2)[nH]c2ccc(Cl)cc12.CCc1c(C(=O)NCCc2ncc(N3CCCCC3)cc2C2CC2)[nH]c2ccc(Cl)cc12.

What is the InChIKey of bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide?

The InChIKey is BJPIKONHKVMPJA-HZKZUFNGSA-N. The full InChI is InChI=1S/C27H32ClN5O.2C26H31ClN4O.C26H31FN4O/c1-2-21-23-14-19(28)7-9-24(23)32-26(21)27(34)30-11-10-18-6-8-20(33-12-4-3-5-13-33)15-22(18)25-16-29-17-31-25;2*1-2-20-22-14-18(27)8-9-24(22)30-25(20)26(32)28-11-10-23-21(17-6-7-17)15-19(16-29-23)31-12-4-3-5-13-31;1-2-19-20-7-6-8-22(27)24(20)30-25(19)26(32)28-12-11-23-21(17-9-10-17)15-18(16-29-23)31-13-4-3-5-14-31/h6-9,14-15,17,25,32H,2-5,10-13,16H2,1H3,(H,29,31)(H,30,34);2*8-9,14-17,30H,2-7,10-13H2,1H3,(H,28,32);6-8,15-17,30H,2-5,9-14H2,1H3,(H,28,32)/t25-;;;/m1.../s1.

What are the key properties of bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide?

Where does this data come from?

All data for bis(5-chloro-N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-1H-indole-2-carboxamide);5-chloro-N-[2-[2-[(5S)-4,5-dihydro-1H-imidazol-5-yl]-4-piperidin-1-ylphenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide;N-[2-(3-cyclopropyl-5-piperidin-1-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 157369635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).