(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone

C22H21N7O — CID 170333266

IUPAC(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone
SMILESO=C(C1CN(c2ccccn2)C1)N1CCc2[nH]cnc2C1c1cc2ccccn2n1
InChIInChI=1S/C22H21N7O/c30-22(15-12-27(13-15)19-6-1-3-8-23-19)28-10-7-17-20(25-14-24-17)21(28)18-11-16-5-2-4-9-29(16)26-18/h1-6,8-9,11,14-15,21H,7,10,12-13H2,(H,24,25)
InChIKeyITCIXVZMJMOVBM-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.06
Rot. Bonds3

About (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone

(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone (PubChem CID 170333266) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone.

Molecular Properties

Compound Name(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone
PubChem CID170333266
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone
SMILESO=C(C1CN(c2ccccn2)C1)N1CCc2[nH]cnc2C1c1cc2ccccn2n1
InChIInChI=1S/C22H21N7O/c30-22(15-12-27(13-15)19-6-1-3-8-23-19)28-10-7-17-20(25-14-24-17)21(28)18-11-16-5-2-4-9-29(16)26-18/h1-6,8-9,11,14-15,21H,7,10,12-13H2,(H,24,25)
InChIKeyITCIXVZMJMOVBM-UHFFFAOYSA-N
XLogP2.06
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone?
The IUPAC name of (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone (CID 170333266) is (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone.
What is the SMILES notation for (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone?
The canonical SMILES for (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone is O=C(C1CN(c2ccccn2)C1)N1CCc2[nH]cnc2C1c1cc2ccccn2n1.
What is the InChIKey of (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone?
The InChIKey is ITCIXVZMJMOVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c30-22(15-12-27(13-15)19-6-1-3-8-23-19)28-10-7-17-20(25-14-24-17)21(28)18-11-16-5-2-4-9-29(16)26-18/h1-6,8-9,11,14-15,21H,7,10,12-13H2,(H,24,25).
What are the key properties of (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone?
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone has a molecular weight of 399.46 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone is sourced from PubChem (CID 170333266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).