1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol

C14H18ClN3O — CID 117251610

IUPAC1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol
SMILESCC(C)N1CCC(c2nc(Cl)c3cc(O)ccn23)C1
InChIInChI=1S/C14H18ClN3O/c1-9(2)17-5-3-10(8-17)14-16-13(15)12-7-11(19)4-6-18(12)14/h4,6-7,9-10,19H,3,5,8H2,1-2H3
InChIKeyLWIXNZJLQYWMFG-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.89
Rot. Bonds2

About 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol

1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol (PubChem CID 117251610) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol
PubChem CID117251610
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol
SMILESCC(C)N1CCC(c2nc(Cl)c3cc(O)ccn23)C1
InChIInChI=1S/C14H18ClN3O/c1-9(2)17-5-3-10(8-17)14-16-13(15)12-7-11(19)4-6-18(12)14/h4,6-7,9-10,19H,3,5,8H2,1-2H3
InChIKeyLWIXNZJLQYWMFG-UHFFFAOYSA-N
XLogP2.89
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol?
The IUPAC name of 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol (CID 117251610) is 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol?
The canonical SMILES for 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol is CC(C)N1CCC(c2nc(Cl)c3cc(O)ccn23)C1.
What is the InChIKey of 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol?
The InChIKey is LWIXNZJLQYWMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9(2)17-5-3-10(8-17)14-16-13(15)12-7-11(19)4-6-18(12)14/h4,6-7,9-10,19H,3,5,8H2,1-2H3.
What are the key properties of 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol?
1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol has a molecular weight of 279.77 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117251610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).