6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide

C26H21ClN6O2 — CID 118665290

IUPAC6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
SMILESCc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1
InChIInChI=1S/C26H21ClN6O2/c1-14-6-17-7-15(9-21(25(28)34)24(17)30-12-14)8-19-10-16(4-5-29-19)26(35)31-13-23-20-11-18(27)2-3-22(20)32-33-23/h2-7,9-12H,8,13H2,1H3,(H2,28,34)(H,31,35)(H,32,33)
InChIKeyKIVLLFJSACGLHN-UHFFFAOYSA-N
MW484.95 g/mol
LogP4.09
Rot. Bonds6

About 6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide

6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide (PubChem CID 118665290) has the molecular formula C26H21ClN6O2 and a molecular weight of 484.95 g/mol. Its IUPAC name is 6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide.

Molecular Properties

Compound Name6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
PubChem CID118665290
Molecular FormulaC26H21ClN6O2
Molecular Weight484.95 g/mol
Exact Mass484.14
IUPAC Name6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
SMILESCc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1
InChIInChI=1S/C26H21ClN6O2/c1-14-6-17-7-15(9-21(25(28)34)24(17)30-12-14)8-19-10-16(4-5-29-19)26(35)31-13-23-20-11-18(27)2-3-22(20)32-33-23/h2-7,9-12H,8,13H2,1H3,(H2,28,34)(H,31,35)(H,32,33)
InChIKeyKIVLLFJSACGLHN-UHFFFAOYSA-N
XLogP4.09
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
The IUPAC name of 6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide (CID 118665290) is 6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide.
What is the SMILES notation for 6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
The canonical SMILES for 6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide is Cc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1.
What is the InChIKey of 6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
The InChIKey is KIVLLFJSACGLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O2/c1-14-6-17-7-15(9-21(25(28)34)24(17)30-12-14)8-19-10-16(4-5-29-19)26(35)31-13-23-20-11-18(27)2-3-22(20)32-33-23/h2-7,9-12H,8,13H2,1H3,(H2,28,34)(H,31,35)(H,32,33).
What are the key properties of 6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide has a molecular weight of 484.95 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide is sourced from PubChem (CID 118665290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).