2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide

C27H25Cl2N5O — CID 91013651

IUPAC2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1C1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1
InChIInChI=1S/C27H25Cl2N5O/c28-22-6-3-18(4-7-22)2-1-13-34-14-10-19(11-15-34)25-23(8-5-21-17-31-33-26(21)25)32-27(35)20-9-12-30-24(29)16-20/h1-9,12,16-17,19H,10-11,13-15H2,(H,31,33)(H,32,35)
InChIKeyKNMKREVLDQGDJM-UHFFFAOYSA-N
MW506.44 g/mol
LogP6.41
Rot. Bonds6

About 2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide

2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide (PubChem CID 91013651) has the molecular formula C27H25Cl2N5O and a molecular weight of 506.44 g/mol. Its IUPAC name is 2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide
PubChem CID91013651
Molecular FormulaC27H25Cl2N5O
Molecular Weight506.44 g/mol
Exact Mass505.14
IUPAC Name2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1C1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1
InChIInChI=1S/C27H25Cl2N5O/c28-22-6-3-18(4-7-22)2-1-13-34-14-10-19(11-15-34)25-23(8-5-21-17-31-33-26(21)25)32-27(35)20-9-12-30-24(29)16-20/h1-9,12,16-17,19H,10-11,13-15H2,(H,31,33)(H,32,35)
InChIKeyKNMKREVLDQGDJM-UHFFFAOYSA-N
XLogP6.41
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.44
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide (CID 91013651) is 2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide is O=C(Nc1ccc2cn[nH]c2c1C1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide?
The InChIKey is KNMKREVLDQGDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N5O/c28-22-6-3-18(4-7-22)2-1-13-34-14-10-19(11-15-34)25-23(8-5-21-17-31-33-26(21)25)32-27(35)20-9-12-30-24(29)16-20/h1-9,12,16-17,19H,10-11,13-15H2,(H,31,33)(H,32,35).
What are the key properties of 2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide?
2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide has a molecular weight of 506.44 g/mol, XLogP of 6.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-1H-indazol-6-yl]pyridine-4-carboxamide is sourced from PubChem (CID 91013651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).