N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C27H31F3N10O2 — CID 137446574

IUPACN-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)c1cc(Nc2ccnc(N3CCN(Cc4ccc(NC(=O)c5nc(C)oc5C(F)(F)F)cn4)CC3)n2)n[nH]1
InChIInChI=1S/C27H31F3N10O2/c1-4-16(2)20-13-22(38-37-20)35-21-7-8-31-26(36-21)40-11-9-39(10-12-40)15-19-6-5-18(14-32-19)34-25(41)23-24(27(28,29)30)42-17(3)33-23/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,34,41)(H2,31,35,36,37,38)
InChIKeyOTMVXOJSZHMDRO-UHFFFAOYSA-N
MW584.61 g/mol
LogP4.74
Rot. Bonds9

About N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 137446574) has the molecular formula C27H31F3N10O2 and a molecular weight of 584.61 g/mol. Its IUPAC name is N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID137446574
Molecular FormulaC27H31F3N10O2
Molecular Weight584.61 g/mol
Exact Mass584.26
IUPAC NameN-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)c1cc(Nc2ccnc(N3CCN(Cc4ccc(NC(=O)c5nc(C)oc5C(F)(F)F)cn4)CC3)n2)n[nH]1
InChIInChI=1S/C27H31F3N10O2/c1-4-16(2)20-13-22(38-37-20)35-21-7-8-31-26(36-21)40-11-9-39(10-12-40)15-19-6-5-18(14-32-19)34-25(41)23-24(27(28,29)30)42-17(3)33-23/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,34,41)(H2,31,35,36,37,38)
InChIKeyOTMVXOJSZHMDRO-UHFFFAOYSA-N
XLogP4.74
TPSA140.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.61
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 137446574) is N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CCC(C)c1cc(Nc2ccnc(N3CCN(Cc4ccc(NC(=O)c5nc(C)oc5C(F)(F)F)cn4)CC3)n2)n[nH]1.
What is the InChIKey of N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OTMVXOJSZHMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N10O2/c1-4-16(2)20-13-22(38-37-20)35-21-7-8-31-26(36-21)40-11-9-39(10-12-40)15-19-6-5-18(14-32-19)34-25(41)23-24(27(28,29)30)42-17(3)33-23/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,34,41)(H2,31,35,36,37,38).
What are the key properties of N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 584.61 g/mol, XLogP of 4.74, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-[4-[(5-butan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 137446574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).