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

C20H19FN6O2 — CID 71288301

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)N[C@H]4CC[C@H](O)C4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H19FN6O2/c1-27-16-6-10(21)2-5-13(16)17(26-27)15-9-23-19-18(25-15)14(8-22-19)20(29)24-11-3-4-12(28)7-11/h2,5-6,8-9,11-12,28H,3-4,7H2,1H3,(H,22,23)(H,24,29)/t11-,12-/m0/s1
InChIKeyWYZXCGLPEVUIPE-RYUDHWBXSA-N
MW394.41 g/mol
LogP2.29
Rot. Bonds3

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

2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288301) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288301
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)N[C@H]4CC[C@H](O)C4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H19FN6O2/c1-27-16-6-10(21)2-5-13(16)17(26-27)15-9-23-19-18(25-15)14(8-22-19)20(29)24-11-3-4-12(28)7-11/h2,5-6,8-9,11-12,28H,3-4,7H2,1H3,(H,22,23)(H,24,29)/t11-,12-/m0/s1
InChIKeyWYZXCGLPEVUIPE-RYUDHWBXSA-N
XLogP2.29
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.29
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-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288301) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@H]4CC[C@H](O)C4)c3n2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is WYZXCGLPEVUIPE-RYUDHWBXSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-27-16-6-10(21)2-5-13(16)17(26-27)15-9-23-19-18(25-15)14(8-22-19)20(29)24-11-3-4-12(28)7-11/h2,5-6,8-9,11-12,28H,3-4,7H2,1H3,(H,22,23)(H,24,29)/t11-,12-/m0/s1.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.29, 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-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).