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

C21H17ClN6O — CID 137431916

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CC1
InChIInChI=1S/C21H17ClN6O/c22-15-9-12(8-13-10-24-28-16(13)15)18-17(11-4-2-1-3-5-11)27-20(23)19(26-18)21(29)25-14-6-7-14/h1-5,8-10,14H,6-7H2,(H2,23,27)(H,24,28)(H,25,29)
InChIKeyKZXLANMKNMWAJI-UHFFFAOYSA-N
MW404.86 g/mol
LogP3.81
Rot. Bonds4

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide (PubChem CID 137431916) has the molecular formula C21H17ClN6O and a molecular weight of 404.86 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide
PubChem CID137431916
Molecular FormulaC21H17ClN6O
Molecular Weight404.86 g/mol
Exact Mass404.12
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CC1
InChIInChI=1S/C21H17ClN6O/c22-15-9-12(8-13-10-24-28-16(13)15)18-17(11-4-2-1-3-5-11)27-20(23)19(26-18)21(29)25-14-6-7-14/h1-5,8-10,14H,6-7H2,(H2,23,27)(H,24,28)(H,25,29)
InChIKeyKZXLANMKNMWAJI-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide (CID 137431916) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CC1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide?
The InChIKey is KZXLANMKNMWAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O/c22-15-9-12(8-13-10-24-28-16(13)15)18-17(11-4-2-1-3-5-11)27-20(23)19(26-18)21(29)25-14-6-7-14/h1-5,8-10,14H,6-7H2,(H2,23,27)(H,24,28)(H,25,29).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137431916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).