6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide

C23H20ClN5O — CID 162665323

IUPAC6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide
SMILESCc1cncc(-c2ccc(-c3ccc4c(C(=O)NCC5CC5)n[nH]c4c3)c(Cl)c2)n1
InChIInChI=1S/C23H20ClN5O/c1-13-10-25-12-21(27-13)16-5-6-17(19(24)8-16)15-4-7-18-20(9-15)28-29-22(18)23(30)26-11-14-2-3-14/h4-10,12,14H,2-3,11H2,1H3,(H,26,30)(H,28,29)
InChIKeyQODANEQYRWNSLD-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.79
Rot. Bonds5

About 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide

6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide (PubChem CID 162665323) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide
PubChem CID162665323
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC Name6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide
SMILESCc1cncc(-c2ccc(-c3ccc4c(C(=O)NCC5CC5)n[nH]c4c3)c(Cl)c2)n1
InChIInChI=1S/C23H20ClN5O/c1-13-10-25-12-21(27-13)16-5-6-17(19(24)8-16)15-4-7-18-20(9-15)28-29-22(18)23(30)26-11-14-2-3-14/h4-10,12,14H,2-3,11H2,1H3,(H,26,30)(H,28,29)
InChIKeyQODANEQYRWNSLD-UHFFFAOYSA-N
XLogP4.79
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide (CID 162665323) is 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide is Cc1cncc(-c2ccc(-c3ccc4c(C(=O)NCC5CC5)n[nH]c4c3)c(Cl)c2)n1.
What is the InChIKey of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is QODANEQYRWNSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c1-13-10-25-12-21(27-13)16-5-6-17(19(24)8-16)15-4-7-18-20(9-15)28-29-22(18)23(30)26-11-14-2-3-14/h4-10,12,14H,2-3,11H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide?
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 162665323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).