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

C26H27F3N10O2 — CID 122525778

IUPACN-[6-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(CN3CCN(c4nccc(Nc5cc(C6CC6)[nH]n5)n4)CC3)nc2)c(C(F)(F)F)o1
InChIInChI=1S/C26H27F3N10O2/c1-15-32-22(23(41-15)26(27,28)29)24(40)33-17-4-5-18(31-13-17)14-38-8-10-39(11-9-38)25-30-7-6-20(35-25)34-21-12-19(36-37-21)16-2-3-16/h4-7,12-13,16H,2-3,8-11,14H2,1H3,(H,33,40)(H2,30,34,35,36,37)
InChIKeyFHKAWUVTAXFTEH-UHFFFAOYSA-N
MW568.56 g/mol
LogP4.11
Rot. Bonds8

About N-[6-[[4-[4-[(5-cyclopropyl-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-cyclopropyl-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 122525778) has the molecular formula C26H27F3N10O2 and a molecular weight of 568.56 g/mol. Its IUPAC name is N-[6-[[4-[4-[(5-cyclopropyl-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-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID122525778
Molecular FormulaC26H27F3N10O2
Molecular Weight568.56 g/mol
Exact Mass568.23
IUPAC NameN-[6-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(CN3CCN(c4nccc(Nc5cc(C6CC6)[nH]n5)n4)CC3)nc2)c(C(F)(F)F)o1
InChIInChI=1S/C26H27F3N10O2/c1-15-32-22(23(41-15)26(27,28)29)24(40)33-17-4-5-18(31-13-17)14-38-8-10-39(11-9-38)25-30-7-6-20(35-25)34-21-12-19(36-37-21)16-2-3-16/h4-7,12-13,16H,2-3,8-11,14H2,1H3,(H,33,40)(H2,30,34,35,36,37)
InChIKeyFHKAWUVTAXFTEH-UHFFFAOYSA-N
XLogP4.11
TPSA140.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.56
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[4-[4-[(5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 122525778) is N-[6-[[4-[4-[(5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(CN3CCN(c4nccc(Nc5cc(C6CC6)[nH]n5)n4)CC3)nc2)c(C(F)(F)F)o1.
What is the InChIKey of N-[6-[[4-[4-[(5-cyclopropyl-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 FHKAWUVTAXFTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N10O2/c1-15-32-22(23(41-15)26(27,28)29)24(40)33-17-4-5-18(31-13-17)14-38-8-10-39(11-9-38)25-30-7-6-20(35-25)34-21-12-19(36-37-21)16-2-3-16/h4-7,12-13,16H,2-3,8-11,14H2,1H3,(H,33,40)(H2,30,34,35,36,37).
What are the key properties of N-[6-[[4-[4-[(5-cyclopropyl-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-cyclopropyl-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 568.56 g/mol, XLogP of 4.11, 8 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-cyclopropyl-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 122525778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).