4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide

C26H35ClN6O — CID 69082923

IUPAC4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1cn(-c2ncccn2)c2cccc(Cl)c12)N1CCN(C(C)C)CC1
InChIInChI=1S/C26H35ClN6O/c1-18(2)15-20(32-13-11-31(12-14-32)19(3)4)16-30-25(34)21-17-33(26-28-9-6-10-29-26)23-8-5-7-22(27)24(21)23/h5-10,17-20H,11-16H2,1-4H3,(H,30,34)
InChIKeyUCCUUXPLWWOSTH-UHFFFAOYSA-N
MW483.06 g/mol
LogP4.24
Rot. Bonds8

About 4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide

4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide (PubChem CID 69082923) has the molecular formula C26H35ClN6O and a molecular weight of 483.06 g/mol. Its IUPAC name is 4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide
PubChem CID69082923
Molecular FormulaC26H35ClN6O
Molecular Weight483.06 g/mol
Exact Mass482.26
IUPAC Name4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1cn(-c2ncccn2)c2cccc(Cl)c12)N1CCN(C(C)C)CC1
InChIInChI=1S/C26H35ClN6O/c1-18(2)15-20(32-13-11-31(12-14-32)19(3)4)16-30-25(34)21-17-33(26-28-9-6-10-29-26)23-8-5-7-22(27)24(21)23/h5-10,17-20H,11-16H2,1-4H3,(H,30,34)
InChIKeyUCCUUXPLWWOSTH-UHFFFAOYSA-N
XLogP4.24
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.06
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide?
The IUPAC name of 4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide (CID 69082923) is 4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide is CC(C)CC(CNC(=O)c1cn(-c2ncccn2)c2cccc(Cl)c12)N1CCN(C(C)C)CC1.
What is the InChIKey of 4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide?
The InChIKey is UCCUUXPLWWOSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN6O/c1-18(2)15-20(32-13-11-31(12-14-32)19(3)4)16-30-25(34)21-17-33(26-28-9-6-10-29-26)23-8-5-7-22(27)24(21)23/h5-10,17-20H,11-16H2,1-4H3,(H,30,34).
What are the key properties of 4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide?
4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide has a molecular weight of 483.06 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide is sourced from PubChem (CID 69082923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).