1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide

C19H22N6O2 — CID 156654264

IUPAC1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide
SMILESCc1cnc2c(C(=O)NCC3(O)CC3)nn(Cc3ncc(C)nc3C)c2c1
InChIInChI=1S/C19H22N6O2/c1-11-6-15-16(21-7-11)17(18(26)22-10-19(27)4-5-19)24-25(15)9-14-13(3)23-12(2)8-20-14/h6-8,27H,4-5,9-10H2,1-3H3,(H,22,26)
InChIKeyYXKBKDODDQNHRB-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.45
Rot. Bonds5

About 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide

1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 156654264) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide
PubChem CID156654264
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide
SMILESCc1cnc2c(C(=O)NCC3(O)CC3)nn(Cc3ncc(C)nc3C)c2c1
InChIInChI=1S/C19H22N6O2/c1-11-6-15-16(21-7-11)17(18(26)22-10-19(27)4-5-19)24-25(15)9-14-13(3)23-12(2)8-20-14/h6-8,27H,4-5,9-10H2,1-3H3,(H,22,26)
InChIKeyYXKBKDODDQNHRB-UHFFFAOYSA-N
XLogP1.45
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide (CID 156654264) is 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide is Cc1cnc2c(C(=O)NCC3(O)CC3)nn(Cc3ncc(C)nc3C)c2c1.
What is the InChIKey of 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is YXKBKDODDQNHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11-6-15-16(21-7-11)17(18(26)22-10-19(27)4-5-19)24-25(15)9-14-13(3)23-12(2)8-20-14/h6-8,27H,4-5,9-10H2,1-3H3,(H,22,26).
What are the key properties of 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide?
1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156654264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).