1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C24H27ClFN5O2 — CID 20801157

IUPAC1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3cc(F)ccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H27ClFN5O2/c1-15(2)30-9-7-19(8-10-30)28-24(33)21-12-16-11-18(26)4-5-20(16)31(21)14-23(32)29-22-6-3-17(25)13-27-22/h3-6,11-13,15,19H,7-10,14H2,1-2H3,(H,28,33)(H,27,29,32)
InChIKeyBQJDWODPYFMLRF-UHFFFAOYSA-N
MW471.96 g/mol
LogP4.07
Rot. Bonds6

About 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801157) has the molecular formula C24H27ClFN5O2 and a molecular weight of 471.96 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801157
Molecular FormulaC24H27ClFN5O2
Molecular Weight471.96 g/mol
Exact Mass471.18
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3cc(F)ccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H27ClFN5O2/c1-15(2)30-9-7-19(8-10-30)28-24(33)21-12-16-11-18(26)4-5-20(16)31(21)14-23(32)29-22-6-3-17(25)13-27-22/h3-6,11-13,15,19H,7-10,14H2,1-2H3,(H,28,33)(H,27,29,32)
InChIKeyBQJDWODPYFMLRF-UHFFFAOYSA-N
XLogP4.07
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.96
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801157) is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3cc(F)ccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is BQJDWODPYFMLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5O2/c1-15(2)30-9-7-19(8-10-30)28-24(33)21-12-16-11-18(26)4-5-20(16)31(21)14-23(32)29-22-6-3-17(25)13-27-22/h3-6,11-13,15,19H,7-10,14H2,1-2H3,(H,28,33)(H,27,29,32).
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 471.96 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).