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

C18H17ClN6O2 — CID 71287917

IUPAC2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](CO)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C18H17ClN6O2/c1-9(8-26)22-18(27)12-6-20-17-16(12)23-13(7-21-17)15-11-4-3-10(19)5-14(11)25(2)24-15/h3-7,9,26H,8H2,1-2H3,(H,20,21)(H,22,27)/t9-/m0/s1
InChIKeyINNBDJOVFDAQNL-VIFPVBQESA-N
MW384.83 g/mol
LogP2.28
Rot. Bonds4

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

2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71287917) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71287917
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC Name2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](CO)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C18H17ClN6O2/c1-9(8-26)22-18(27)12-6-20-17-16(12)23-13(7-21-17)15-11-4-3-10(19)5-14(11)25(2)24-15/h3-7,9,26H,8H2,1-2H3,(H,20,21)(H,22,27)/t9-/m0/s1
InChIKeyINNBDJOVFDAQNL-VIFPVBQESA-N
XLogP2.28
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71287917) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](CO)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.
What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is INNBDJOVFDAQNL-VIFPVBQESA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-9(8-26)22-18(27)12-6-20-17-16(12)23-13(7-21-17)15-11-4-3-10(19)5-14(11)25(2)24-15/h3-7,9,26H,8H2,1-2H3,(H,20,21)(H,22,27)/t9-/m0/s1.
What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 384.83 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71287917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).