N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C24H23N7O4 — CID 123974723

IUPACN-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1nc(OC)c2ccn(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2n1
InChIInChI=1S/C24H23N7O4/c1-15-5-4-6-16(11-15)20-19(25-14-35-20)22(32)27-17-12-26-31(13-17)10-9-30-8-7-18-21(30)28-24(34-3)29-23(18)33-2/h4-8,11-14H,9-10H2,1-3H3,(H,27,32)
InChIKeyJZZPVUCSZQOFAX-UHFFFAOYSA-N
MW473.49 g/mol
LogP3.56
Rot. Bonds8

About N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 123974723) has the molecular formula C24H23N7O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID123974723
Molecular FormulaC24H23N7O4
Molecular Weight473.49 g/mol
Exact Mass473.18
IUPAC NameN-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1nc(OC)c2ccn(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2n1
InChIInChI=1S/C24H23N7O4/c1-15-5-4-6-16(11-15)20-19(25-14-35-20)22(32)27-17-12-26-31(13-17)10-9-30-8-7-18-21(30)28-24(34-3)29-23(18)33-2/h4-8,11-14H,9-10H2,1-3H3,(H,27,32)
InChIKeyJZZPVUCSZQOFAX-UHFFFAOYSA-N
XLogP3.56
TPSA122.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 123974723) is N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is COc1nc(OC)c2ccn(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2n1.
What is the InChIKey of N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JZZPVUCSZQOFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4/c1-15-5-4-6-16(11-15)20-19(25-14-35-20)22(32)27-17-12-26-31(13-17)10-9-30-8-7-18-21(30)28-24(34-3)29-23(18)33-2/h4-8,11-14H,9-10H2,1-3H3,(H,27,32).
What are the key properties of N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 473.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123974723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).