N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

C24H24N10O — CID 121168588

IUPACN-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)C1CN(c2cc(-n3cncn3)ncn2)C1
InChIInChI=1S/C24H24N10O/c35-24(18-12-33(13-18)22-11-23(27-15-26-22)34-16-25-14-28-34)29-19-5-3-17(4-6-19)20-7-8-21(31-30-20)32-9-1-2-10-32/h3-8,11,14-16,18H,1-2,9-10,12-13H2,(H,29,35)
InChIKeyIQACWDSNIXDKAV-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.19
Rot. Bonds6

About N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 121168588) has the molecular formula C24H24N10O and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
PubChem CID121168588
Molecular FormulaC24H24N10O
Molecular Weight468.53 g/mol
Exact Mass468.21
IUPAC NameN-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)C1CN(c2cc(-n3cncn3)ncn2)C1
InChIInChI=1S/C24H24N10O/c35-24(18-12-33(13-18)22-11-23(27-15-26-22)34-16-25-14-28-34)29-19-5-3-17(4-6-19)20-7-8-21(31-30-20)32-9-1-2-10-32/h3-8,11,14-16,18H,1-2,9-10,12-13H2,(H,29,35)
InChIKeyIQACWDSNIXDKAV-UHFFFAOYSA-N
XLogP2.19
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(4-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168353
N-(4-butylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168397
N-(4-phenylmethoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121018252
N-(4-propan-2-ylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600321
N-(3-acetylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168361
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90600327
N-(4-sulfamoylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810830
N-(3-bromophenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600711
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 71805451
N-quinolin-6-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600858
N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168450
N-[4-(2-acetamidoethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600835

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The IUPAC name of N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (CID 121168588) is N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The canonical SMILES for N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)C1CN(c2cc(-n3cncn3)ncn2)C1.
What is the InChIKey of N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The InChIKey is IQACWDSNIXDKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O/c35-24(18-12-33(13-18)22-11-23(27-15-26-22)34-16-25-14-28-34)29-19-5-3-17(4-6-19)20-7-8-21(31-30-20)32-9-1-2-10-32/h3-8,11,14-16,18H,1-2,9-10,12-13H2,(H,29,35).
What are the key properties of N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 121168588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).