(3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone

C20H26N4O3 — CID 71007785

IUPAC(3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone
SMILESCC1CCN(C(=O)C2CC2c2[nH]nc3ccnc(OC4CCOCC4)c23)C1
InChIInChI=1S/C20H26N4O3/c1-12-3-7-24(11-12)20(25)15-10-14(15)18-17-16(22-23-18)2-6-21-19(17)27-13-4-8-26-9-5-13/h2,6,12-15H,3-5,7-11H2,1H3,(H,22,23)
InChIKeySTEFOTBKWJBQSJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.49
Rot. Bonds4

About (3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone

(3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone (PubChem CID 71007785) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone
PubChem CID71007785
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone
SMILESCC1CCN(C(=O)C2CC2c2[nH]nc3ccnc(OC4CCOCC4)c23)C1
InChIInChI=1S/C20H26N4O3/c1-12-3-7-24(11-12)20(25)15-10-14(15)18-17-16(22-23-18)2-6-21-19(17)27-13-4-8-26-9-5-13/h2,6,12-15H,3-5,7-11H2,1H3,(H,22,23)
InChIKeySTEFOTBKWJBQSJ-UHFFFAOYSA-N
XLogP2.49
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone (CID 71007785) is (3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone is CC1CCN(C(=O)C2CC2c2[nH]nc3ccnc(OC4CCOCC4)c23)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone?
The InChIKey is STEFOTBKWJBQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-12-3-7-24(11-12)20(25)15-10-14(15)18-17-16(22-23-18)2-6-21-19(17)27-13-4-8-26-9-5-13/h2,6,12-15H,3-5,7-11H2,1H3,(H,22,23).
What are the key properties of (3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone?
(3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone has a molecular weight of 370.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone is sourced from PubChem (CID 71007785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).