N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide

C33H29N7O2 — CID 44529200

IUPACN-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1)C1CCCCC1
InChIInChI=1S/C33H29N7O2/c41-32(22-8-2-1-3-9-22)36-25-12-7-11-24(19-25)31-30(28-14-4-5-17-40(28)39-31)27-15-16-35-33(38-27)37-26-13-6-10-23(18-26)29-20-34-21-42-29/h4-7,10-22H,1-3,8-9H2,(H,36,41)(H,35,37,38)
InChIKeyPVGCIRZUNIXBRI-UHFFFAOYSA-N
MW555.64 g/mol
LogP7.38
Rot. Bonds7

About N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide

N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 44529200) has the molecular formula C33H29N7O2 and a molecular weight of 555.64 g/mol. Its IUPAC name is N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide
PubChem CID44529200
Molecular FormulaC33H29N7O2
Molecular Weight555.64 g/mol
Exact Mass555.24
IUPAC NameN-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1)C1CCCCC1
InChIInChI=1S/C33H29N7O2/c41-32(22-8-2-1-3-9-22)36-25-12-7-11-24(19-25)31-30(28-14-4-5-17-40(28)39-31)27-15-16-35-33(38-27)37-26-13-6-10-23(18-26)29-20-34-21-42-29/h4-7,10-22H,1-3,8-9H2,(H,36,41)(H,35,37,38)
InChIKeyPVGCIRZUNIXBRI-UHFFFAOYSA-N
XLogP7.38
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide (CID 44529200) is N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is PVGCIRZUNIXBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N7O2/c41-32(22-8-2-1-3-9-22)36-25-12-7-11-24(19-25)31-30(28-14-4-5-17-40(28)39-31)27-15-16-35-33(38-27)37-26-13-6-10-23(18-26)29-20-34-21-42-29/h4-7,10-22H,1-3,8-9H2,(H,36,41)(H,35,37,38).
What are the key properties of N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 555.64 g/mol, XLogP of 7.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 44529200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).