3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C23H19Cl2N9O — CID 154604744

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1ccc(Cl)cn1
InChIInChI=1S/C23H19Cl2N9O/c1-11(16-4-3-14(24)10-27-16)29-23(35)21-22(26)31-20(17-5-6-34(2)33-17)19(30-21)12-7-13-9-28-32-18(13)15(25)8-12/h3-11H,1-2H3,(H2,26,31)(H,28,32)(H,29,35)/t11-/m1/s1
InChIKeyPVZLKQRZWJOWKV-LLVKDONJSA-N
MW508.37 g/mol
LogP4.20
Rot. Bonds5

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 154604744) has the molecular formula C23H19Cl2N9O and a molecular weight of 508.37 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID154604744
Molecular FormulaC23H19Cl2N9O
Molecular Weight508.37 g/mol
Exact Mass507.11
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1ccc(Cl)cn1
InChIInChI=1S/C23H19Cl2N9O/c1-11(16-4-3-14(24)10-27-16)29-23(35)21-22(26)31-20(17-5-6-34(2)33-17)19(30-21)12-7-13-9-28-32-18(13)15(25)8-12/h3-11H,1-2H3,(H2,26,31)(H,28,32)(H,29,35)/t11-/m1/s1
InChIKeyPVZLKQRZWJOWKV-LLVKDONJSA-N
XLogP4.20
TPSA140.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.37
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 154604744) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is C[C@@H](NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1ccc(Cl)cn1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is PVZLKQRZWJOWKV-LLVKDONJSA-N. The full InChI is InChI=1S/C23H19Cl2N9O/c1-11(16-4-3-14(24)10-27-16)29-23(35)21-22(26)31-20(17-5-6-34(2)33-17)19(30-21)12-7-13-9-28-32-18(13)15(25)8-12/h3-11H,1-2H3,(H2,26,31)(H,28,32)(H,29,35)/t11-/m1/s1.
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 508.37 g/mol, XLogP of 4.20, 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)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 154604744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).