4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

C27H24N6O — CID 118647508

IUPAC4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCn1ncc2cc(-c3c(-c4ccc(C#N)cc4)cc(OC[C@@H]4CCNC4)c4cncn34)ccc21
InChIInChI=1S/C27H24N6O/c1-32-24-7-6-21(10-22(24)14-31-32)27-23(20-4-2-18(12-28)3-5-20)11-26(25-15-30-17-33(25)27)34-16-19-8-9-29-13-19/h2-7,10-11,14-15,17,19,29H,8-9,13,16H2,1H3/t19-/m1/s1
InChIKeyVRCWSASKNVVTRH-LJQANCHMSA-N
MW448.53 g/mol
LogP4.41
Rot. Bonds5

About 4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647508) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647508
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCn1ncc2cc(-c3c(-c4ccc(C#N)cc4)cc(OC[C@@H]4CCNC4)c4cncn34)ccc21
InChIInChI=1S/C27H24N6O/c1-32-24-7-6-21(10-22(24)14-31-32)27-23(20-4-2-18(12-28)3-5-20)11-26(25-15-30-17-33(25)27)34-16-19-8-9-29-13-19/h2-7,10-11,14-15,17,19,29H,8-9,13,16H2,1H3/t19-/m1/s1
InChIKeyVRCWSASKNVVTRH-LJQANCHMSA-N
XLogP4.41
TPSA80.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647508) is 4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is Cn1ncc2cc(-c3c(-c4ccc(C#N)cc4)cc(OC[C@@H]4CCNC4)c4cncn34)ccc21.
What is the InChIKey of 4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is VRCWSASKNVVTRH-LJQANCHMSA-N. The full InChI is InChI=1S/C27H24N6O/c1-32-24-7-6-21(10-22(24)14-31-32)27-23(20-4-2-18(12-28)3-5-20)11-26(25-15-30-17-33(25)27)34-16-19-8-9-29-13-19/h2-7,10-11,14-15,17,19,29H,8-9,13,16H2,1H3/t19-/m1/s1.
What are the key properties of 4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 448.53 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylindazol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).