N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide

C21H17ClN6O — CID 137430365

IUPACN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CC1
InChIInChI=1S/C21H17ClN6O/c22-15-9-13(8-14-10-24-28-16(14)15)18-17(11-4-2-1-3-5-11)25-19(23)20(26-18)27-21(29)12-6-7-12/h1-5,8-10,12H,6-7H2,(H2,23,25)(H,24,28)(H,26,27,29)
InChIKeyQDNROXVQVJPHCF-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.27
Rot. Bonds4

About N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide

N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 137430365) has the molecular formula C21H17ClN6O and a molecular weight of 404.86 g/mol. Its IUPAC name is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide
PubChem CID137430365
Molecular FormulaC21H17ClN6O
Molecular Weight404.86 g/mol
Exact Mass404.12
IUPAC NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CC1
InChIInChI=1S/C21H17ClN6O/c22-15-9-13(8-14-10-24-28-16(14)15)18-17(11-4-2-1-3-5-11)25-19(23)20(26-18)27-21(29)12-6-7-12/h1-5,8-10,12H,6-7H2,(H2,23,25)(H,24,28)(H,26,27,29)
InChIKeyQDNROXVQVJPHCF-UHFFFAOYSA-N
XLogP4.27
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide (CID 137430365) is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CC1.
What is the InChIKey of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is QDNROXVQVJPHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O/c22-15-9-13(8-14-10-24-28-16(14)15)18-17(11-4-2-1-3-5-11)25-19(23)20(26-18)27-21(29)12-6-7-12/h1-5,8-10,12H,6-7H2,(H2,23,25)(H,24,28)(H,26,27,29).
What are the key properties of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide?
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 404.86 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 137430365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).