2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C23H21F2N7O2 — CID 138727770

IUPAC2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)cn1
InChIInChI=1S/C23H21F2N7O2/c1-13-2-5-16(10-27-13)32-11-17(20(31-32)21(24)25)29-22(33)18-12-34-23(30-18)15-6-7-26-19(8-15)28-9-14-3-4-14/h2,5-8,10-12,14,21H,3-4,9H2,1H3,(H,26,28)(H,29,33)
InChIKeyDDDMHOBFQGYMKO-UHFFFAOYSA-N
MW465.46 g/mol
LogP4.64
Rot. Bonds8

About 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 138727770) has the molecular formula C23H21F2N7O2 and a molecular weight of 465.46 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID138727770
Molecular FormulaC23H21F2N7O2
Molecular Weight465.46 g/mol
Exact Mass465.17
IUPAC Name2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)cn1
InChIInChI=1S/C23H21F2N7O2/c1-13-2-5-16(10-27-13)32-11-17(20(31-32)21(24)25)29-22(33)18-12-34-23(30-18)15-6-7-26-19(8-15)28-9-14-3-4-14/h2,5-8,10-12,14,21H,3-4,9H2,1H3,(H,26,28)(H,29,33)
InChIKeyDDDMHOBFQGYMKO-UHFFFAOYSA-N
XLogP4.64
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[4-(3-aminoprop-1-ynyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 146599604
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 138727494
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 146599609
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 52913876
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[4-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperazin-1-yl]phenyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 172610826
tert-butyl N-(cyclopropylmethyl)-N-[4-[4-[[3-(difluoromethyl)-1-[4-(hydroxymethyl)phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamate
CID 138694870
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]butyl]phenyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 158524854
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butyl]phenyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 162051323
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]butoxy]butylamino]methyl]phenyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 138695704
propan-2-yloxycarbonyl 4-[4-[[2-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]benzoate
CID 138694601
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[4-[2-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]butyl]phenyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 161104362
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]butyl]phenyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 152975929

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 138727770) is 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is Cc1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)cn1.
What is the InChIKey of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is DDDMHOBFQGYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2/c1-13-2-5-16(10-27-13)32-11-17(20(31-32)21(24)25)29-22(33)18-12-34-23(30-18)15-6-7-26-19(8-15)28-9-14-3-4-14/h2,5-8,10-12,14,21H,3-4,9H2,1H3,(H,26,28)(H,29,33).
What are the key properties of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138727770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).