N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide

C27H30FN7O2 — CID 170237490

IUPACN-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
SMILESCc1nc2c(N3CCOCC3)cc(-c3cc(C(=O)Nc4cn(C5(C)CC5)nc4F)c(C)cc3C)cn2n1
InChIInChI=1S/C27H30FN7O2/c1-16-11-17(2)21(26(36)30-22-15-35(32-24(22)28)27(4)5-6-27)13-20(16)19-12-23(33-7-9-37-10-8-33)25-29-18(3)31-34(25)14-19/h11-15H,5-10H2,1-4H3,(H,30,36)
InChIKeyHMWCKGPWGIJYRS-UHFFFAOYSA-N
MW503.58 g/mol
LogP4.26
Rot. Bonds5

About N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide

N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide (PubChem CID 170237490) has the molecular formula C27H30FN7O2 and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
PubChem CID170237490
Molecular FormulaC27H30FN7O2
Molecular Weight503.58 g/mol
Exact Mass503.24
IUPAC NameN-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
SMILESCc1nc2c(N3CCOCC3)cc(-c3cc(C(=O)Nc4cn(C5(C)CC5)nc4F)c(C)cc3C)cn2n1
InChIInChI=1S/C27H30FN7O2/c1-16-11-17(2)21(26(36)30-22-15-35(32-24(22)28)27(4)5-6-27)13-20(16)19-12-23(33-7-9-37-10-8-33)25-29-18(3)31-34(25)14-19/h11-15H,5-10H2,1-4H3,(H,30,36)
InChIKeyHMWCKGPWGIJYRS-UHFFFAOYSA-N
XLogP4.26
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide with MolForge

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Related Compounds

1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]pyrazole-4-carboxamide
CID 169077763
5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide
CID 176698073
2-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]triazole-4-carboxamide
CID 169077793
methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate
CID 169077757
1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-yl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]pyrazole-4-carboxamide
CID 176698012
1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide
CID 169077877
methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate
CID 169130803
N-(2-tert-butyl-1,3-oxazol-5-yl)-N,5-dimethyl-4-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-2-carboxamide
CID 170236300
N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)benzamide
CID 169077816
N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 169130879
methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate
CID 169077893
1-tert-butyl-3-fluoro-N-[5-fluoro-4-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 169077818

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The IUPAC name of N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide (CID 170237490) is N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide.
What is the SMILES notation for N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The canonical SMILES for N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide is Cc1nc2c(N3CCOCC3)cc(-c3cc(C(=O)Nc4cn(C5(C)CC5)nc4F)c(C)cc3C)cn2n1.
What is the InChIKey of N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The InChIKey is HMWCKGPWGIJYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O2/c1-16-11-17(2)21(26(36)30-22-15-35(32-24(22)28)27(4)5-6-27)13-20(16)19-12-23(33-7-9-37-10-8-33)25-29-18(3)31-34(25)14-19/h11-15H,5-10H2,1-4H3,(H,30,36).
What are the key properties of N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide has a molecular weight of 503.58 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 170237490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).