4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile

C22H21ClN4O — CID 70682138

IUPAC4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile
SMILESCCC(C1CC1)n1c(=O)c(C)nc2c(-c3cc(C#N)c(C)cc3Cl)ccnc21
InChIInChI=1S/C22H21ClN4O/c1-4-19(14-5-6-14)27-21-20(26-13(3)22(27)28)16(7-8-25-21)17-10-15(11-24)12(2)9-18(17)23/h7-10,14,19H,4-6H2,1-3H3
InChIKeyCIIZYTXDTFGMMP-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.96
Rot. Bonds4

About 4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile

4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile (PubChem CID 70682138) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile
PubChem CID70682138
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile
SMILESCCC(C1CC1)n1c(=O)c(C)nc2c(-c3cc(C#N)c(C)cc3Cl)ccnc21
InChIInChI=1S/C22H21ClN4O/c1-4-19(14-5-6-14)27-21-20(26-13(3)22(27)28)16(7-8-25-21)17-10-15(11-24)12(2)9-18(17)23/h7-10,14,19H,4-6H2,1-3H3
InChIKeyCIIZYTXDTFGMMP-UHFFFAOYSA-N
XLogP4.96
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile?
The IUPAC name of 4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile (CID 70682138) is 4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile.
What is the SMILES notation for 4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile?
The canonical SMILES for 4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile is CCC(C1CC1)n1c(=O)c(C)nc2c(-c3cc(C#N)c(C)cc3Cl)ccnc21.
What is the InChIKey of 4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile?
The InChIKey is CIIZYTXDTFGMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-4-19(14-5-6-14)27-21-20(26-13(3)22(27)28)16(7-8-25-21)17-10-15(11-24)12(2)9-18(17)23/h7-10,14,19H,4-6H2,1-3H3.
What are the key properties of 4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile?
4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile has a molecular weight of 392.89 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile is sourced from PubChem (CID 70682138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).