3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide

C24H20ClN9O — CID 154657918

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC3(c4ccccn4)CC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C24H20ClN9O/c1-34-9-5-16(33-34)20-19(13-10-14-12-28-32-18(14)15(25)11-13)29-21(22(26)30-20)23(35)31-24(6-7-24)17-4-2-3-8-27-17/h2-5,8-12H,6-7H2,1H3,(H2,26,30)(H,28,32)(H,31,35)
InChIKeyDMCZAYJLHJUABM-UHFFFAOYSA-N
MW485.94 g/mol
LogP3.47
Rot. Bonds5

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide (PubChem CID 154657918) has the molecular formula C24H20ClN9O and a molecular weight of 485.94 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide
PubChem CID154657918
Molecular FormulaC24H20ClN9O
Molecular Weight485.94 g/mol
Exact Mass485.15
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC3(c4ccccn4)CC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C24H20ClN9O/c1-34-9-5-16(33-34)20-19(13-10-14-12-28-32-18(14)15(25)11-13)29-21(22(26)30-20)23(35)31-24(6-7-24)17-4-2-3-8-27-17/h2-5,8-12H,6-7H2,1H3,(H2,26,30)(H,28,32)(H,31,35)
InChIKeyDMCZAYJLHJUABM-UHFFFAOYSA-N
XLogP3.47
TPSA140.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.94
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide (CID 154657918) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NC3(c4ccccn4)CC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide?
The InChIKey is DMCZAYJLHJUABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN9O/c1-34-9-5-16(33-34)20-19(13-10-14-12-28-32-18(14)15(25)11-13)29-21(22(26)30-20)23(35)31-24(6-7-24)17-4-2-3-8-27-17/h2-5,8-12H,6-7H2,1H3,(H2,26,30)(H,28,32)(H,31,35).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide has a molecular weight of 485.94 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylcyclopropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 154657918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).