N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H20FN7O — CID 71279985

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CN)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H20FN7O/c1-19(2,9-21)25-18(28)12-7-22-17-16(12)24-13(8-23-17)15-11-5-4-10(20)6-14(11)27(3)26-15/h4-8H,9,21H2,1-3H3,(H,22,23)(H,25,28)
InChIKeyYRSWQJRKHKSPFV-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.12
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279985) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279985
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CN)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H20FN7O/c1-19(2,9-21)25-18(28)12-7-22-17-16(12)24-13(8-23-17)15-11-5-4-10(20)6-14(11)27(3)26-15/h4-8H,9,21H2,1-3H3,(H,22,23)(H,25,28)
InChIKeyYRSWQJRKHKSPFV-UHFFFAOYSA-N
XLogP2.12
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279985) is N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CN)c3n2)c2ccc(F)cc21.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YRSWQJRKHKSPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-19(2,9-21)25-18(28)12-7-22-17-16(12)24-13(8-23-17)15-11-5-4-10(20)6-14(11)27(3)26-15/h4-8H,9,21H2,1-3H3,(H,22,23)(H,25,28).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).