3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide

C23H22ClN7O — CID 137430948

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1
InChIInChI=1S/C23H22ClN7O/c1-31-8-7-16(12-31)27-23(32)21-22(25)29-19(13-5-3-2-4-6-13)20(28-21)14-9-15-11-26-30-18(15)17(24)10-14/h2-6,9-11,16H,7-8,12H2,1H3,(H2,25,29)(H,26,30)(H,27,32)
InChIKeyKYXNYHCNVADMKQ-UHFFFAOYSA-N
MW447.93 g/mol
LogP3.36
Rot. Bonds4

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide (PubChem CID 137430948) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide
PubChem CID137430948
Molecular FormulaC23H22ClN7O
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1
InChIInChI=1S/C23H22ClN7O/c1-31-8-7-16(12-31)27-23(32)21-22(25)29-19(13-5-3-2-4-6-13)20(28-21)14-9-15-11-26-30-18(15)17(24)10-14/h2-6,9-11,16H,7-8,12H2,1H3,(H2,25,29)(H,26,30)(H,27,32)
InChIKeyKYXNYHCNVADMKQ-UHFFFAOYSA-N
XLogP3.36
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide (CID 137430948) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide is CN1CCC(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide?
The InChIKey is KYXNYHCNVADMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O/c1-31-8-7-16(12-31)27-23(32)21-22(25)29-19(13-5-3-2-4-6-13)20(28-21)14-9-15-11-26-30-18(15)17(24)10-14/h2-6,9-11,16H,7-8,12H2,1H3,(H2,25,29)(H,26,30)(H,27,32).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137430948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).