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

C19H17FN6O2 — CID 71285746

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC4CC(O)C4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H17FN6O2/c1-26-15-4-9(20)2-3-12(15)16(25-26)14-8-22-18-17(24-14)13(7-21-18)19(28)23-10-5-11(27)6-10/h2-4,7-8,10-11,27H,5-6H2,1H3,(H,21,22)(H,23,28)
InChIKeyUSLKIBNDGILVSI-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.90
Rot. Bonds3

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

2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71285746) 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-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71285746
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC4CC(O)C4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H17FN6O2/c1-26-15-4-9(20)2-3-12(15)16(25-26)14-8-22-18-17(24-14)13(7-21-18)19(28)23-10-5-11(27)6-10/h2-4,7-8,10-11,27H,5-6H2,1H3,(H,21,22)(H,23,28)
InChIKeyUSLKIBNDGILVSI-UHFFFAOYSA-N
XLogP1.90
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
N-[(2r)-1-(3-Cyanoazetidin-1-Yl)-1-Oxidanylidene-Propan-2-Yl]-2-(6-Fluoranyl-1-Methyl-Indazol-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71285696
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
2-(6-Chloro-1-Methyl-1h-Indazol-3-Yl)-N-(Propan-2-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71279939
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide
CID 146597342
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carboxamide
CID 146646636
4-Amino-N-(trans-4-hydroxycyclohexyl)-7-(2-fluoro-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 68230695
N-[4-(diethylaminomethyl)phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 137653003
2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
CID 54767249
2-(1,6-dimethyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71279311
N-tert-butyl-2-(6-fluoro-1-(3-(methylsulfonyl)propyl)-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71279423
N-tert-butyl-2-(6-chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279444

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71285746) is 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NC4CC(O)C4)c3n2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is USLKIBNDGILVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-26-15-4-9(20)2-3-12(15)16(25-26)14-8-22-18-17(24-14)13(7-21-18)19(28)23-10-5-11(27)6-10/h2-4,7-8,10-11,27H,5-6H2,1H3,(H,21,22)(H,23,28).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 1.90, 3 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-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71285746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).