[3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone

C15H22N6O — CID 97404937

IUPAC[3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C15H22N6O/c1-10(2)20(3)8-13-11-5-7-21(9-14(11)19-18-13)15(22)12-4-6-16-17-12/h4,6,10H,5,7-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBQWPBSPHDWTVPF-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.17
Rot. Bonds4

About [3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone

[3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 97404937) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is [3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID97404937
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name[3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C15H22N6O/c1-10(2)20(3)8-13-11-5-7-21(9-14(11)19-18-13)15(22)12-4-6-16-17-12/h4,6,10H,5,7-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBQWPBSPHDWTVPF-UHFFFAOYSA-N
XLogP1.17
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone (CID 97404937) is [3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone is CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)c1ccn[nH]1)C2.
What is the InChIKey of [3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is BQWPBSPHDWTVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10(2)20(3)8-13-11-5-7-21(9-14(11)19-18-13)15(22)12-4-6-16-17-12/h4,6,10H,5,7-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of [3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone?
[3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(propan-2-yl)amino]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 97404937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).