3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile

C19H17ClN4O — CID 137367710

IUPAC3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cncc(N)c1Cl)cn2C1CC(O)C1
InChIInChI=1S/C19H17ClN4O/c1-10-2-18-14(3-11(10)6-21)16(9-24(18)12-4-13(25)5-12)15-7-23-8-17(22)19(15)20/h2-3,7-9,12-13,25H,4-5,22H2,1H3
InChIKeyZQHCJZGVESBCID-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.81
Rot. Bonds2

About 3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile

3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile (PubChem CID 137367710) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile
PubChem CID137367710
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cncc(N)c1Cl)cn2C1CC(O)C1
InChIInChI=1S/C19H17ClN4O/c1-10-2-18-14(3-11(10)6-21)16(9-24(18)12-4-13(25)5-12)15-7-23-8-17(22)19(15)20/h2-3,7-9,12-13,25H,4-5,22H2,1H3
InChIKeyZQHCJZGVESBCID-UHFFFAOYSA-N
XLogP3.81
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile?
The IUPAC name of 3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile (CID 137367710) is 3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile?
The canonical SMILES for 3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cncc(N)c1Cl)cn2C1CC(O)C1.
What is the InChIKey of 3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile?
The InChIKey is ZQHCJZGVESBCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-10-2-18-14(3-11(10)6-21)16(9-24(18)12-4-13(25)5-12)15-7-23-8-17(22)19(15)20/h2-3,7-9,12-13,25H,4-5,22H2,1H3.
What are the key properties of 3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile?
3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile has a molecular weight of 352.83 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-chloro-3-pyridinyl)-1-(3-hydroxycyclobutyl)-6-methylindole-5-carbonitrile is sourced from PubChem (CID 137367710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).