5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C25H26ClN7O3 — CID 170152045

IUPAC5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)C(C)c3ccc(-c4nn(C(C)C)c(N)c4C(N)=O)cn3)on2)c(Cl)c1
InChIInChI=1S/C25H26ClN7O3/c1-12(2)33-23(27)21(24(28)34)22(31-33)15-6-8-18(29-11-15)14(4)25(35)30-20-10-19(32-36-20)16-7-5-13(3)9-17(16)26/h5-12,14H,27H2,1-4H3,(H2,28,34)(H,30,35)
InChIKeyIGDPYATUYHHSJN-UHFFFAOYSA-N
MW507.98 g/mol
LogP4.57
Rot. Bonds7

About 5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 170152045) has the molecular formula C25H26ClN7O3 and a molecular weight of 507.98 g/mol. Its IUPAC name is 5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID170152045
Molecular FormulaC25H26ClN7O3
Molecular Weight507.98 g/mol
Exact Mass507.18
IUPAC Name5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)C(C)c3ccc(-c4nn(C(C)C)c(N)c4C(N)=O)cn3)on2)c(Cl)c1
InChIInChI=1S/C25H26ClN7O3/c1-12(2)33-23(27)21(24(28)34)22(31-33)15-6-8-18(29-11-15)14(4)25(35)30-20-10-19(32-36-20)16-7-5-13(3)9-17(16)26/h5-12,14H,27H2,1-4H3,(H2,28,34)(H,30,35)
InChIKeyIGDPYATUYHHSJN-UHFFFAOYSA-N
XLogP4.57
TPSA154.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.98
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 170152045) is 5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(-c2cc(NC(=O)C(C)c3ccc(-c4nn(C(C)C)c(N)c4C(N)=O)cn3)on2)c(Cl)c1.
What is the InChIKey of 5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is IGDPYATUYHHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O3/c1-12(2)33-23(27)21(24(28)34)22(31-33)15-6-8-18(29-11-15)14(4)25(35)30-20-10-19(32-36-20)16-7-5-13(3)9-17(16)26/h5-12,14H,27H2,1-4H3,(H2,28,34)(H,30,35).
What are the key properties of 5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 507.98 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 170152045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).