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

C19H17FN6O2 — CID 71279588

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC4(CO)CC4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H17FN6O2/c1-26-14-6-10(20)2-3-11(14)15(25-26)13-8-22-17-16(23-13)12(7-21-17)18(28)24-19(9-27)4-5-19/h2-3,6-8,27H,4-5,9H2,1H3,(H,21,22)(H,24,28)
InChIKeyCRGOLQOVQZKADF-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.91
Rot. Bonds4

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

2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279588) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279588
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC4(CO)CC4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H17FN6O2/c1-26-14-6-10(20)2-3-11(14)15(25-26)13-8-22-17-16(23-13)12(7-21-17)18(28)24-19(9-27)4-5-19/h2-3,6-8,27H,4-5,9H2,1H3,(H,21,22)(H,24,28)
InChIKeyCRGOLQOVQZKADF-UHFFFAOYSA-N
XLogP1.91
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279588) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(CO)CC4)c3n2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is CRGOLQOVQZKADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-26-14-6-10(20)2-3-11(14)15(25-26)13-8-22-17-16(23-13)12(7-21-17)18(28)24-19(9-27)4-5-19/h2-3,6-8,27H,4-5,9H2,1H3,(H,21,22)(H,24,28).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).