N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide

C23H18ClF2N7O2 — CID 59139676

IUPACN-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide
SMILESO=C(NCCn1ccc2ncnc(Nc3ccc(Oc4ccc5ccnn5c4)c(Cl)c3)c21)C(F)F
InChIInChI=1S/C23H18ClF2N7O2/c24-17-11-14(1-4-19(17)35-16-3-2-15-5-7-30-33(15)12-16)31-22-20-18(28-13-29-22)6-9-32(20)10-8-27-23(34)21(25)26/h1-7,9,11-13,21H,8,10H2,(H,27,34)(H,28,29,31)
InChIKeyFITQUEHUKGKKMW-UHFFFAOYSA-N
MW497.89 g/mol
LogP4.65
Rot. Bonds8

About N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide

N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide (PubChem CID 59139676) has the molecular formula C23H18ClF2N7O2 and a molecular weight of 497.89 g/mol. Its IUPAC name is N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide
PubChem CID59139676
Molecular FormulaC23H18ClF2N7O2
Molecular Weight497.89 g/mol
Exact Mass497.12
IUPAC NameN-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide
SMILESO=C(NCCn1ccc2ncnc(Nc3ccc(Oc4ccc5ccnn5c4)c(Cl)c3)c21)C(F)F
InChIInChI=1S/C23H18ClF2N7O2/c24-17-11-14(1-4-19(17)35-16-3-2-15-5-7-30-33(15)12-16)31-22-20-18(28-13-29-22)6-9-32(20)10-8-27-23(34)21(25)26/h1-7,9,11-13,21H,8,10H2,(H,27,34)(H,28,29,31)
InChIKeyFITQUEHUKGKKMW-UHFFFAOYSA-N
XLogP4.65
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.89
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide (CID 59139676) is N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide is O=C(NCCn1ccc2ncnc(Nc3ccc(Oc4ccc5ccnn5c4)c(Cl)c3)c21)C(F)F.
What is the InChIKey of N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide?
The InChIKey is FITQUEHUKGKKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N7O2/c24-17-11-14(1-4-19(17)35-16-3-2-15-5-7-30-33(15)12-16)31-22-20-18(28-13-29-22)6-9-32(20)10-8-27-23(34)21(25)26/h1-7,9,11-13,21H,8,10H2,(H,27,34)(H,28,29,31).
What are the key properties of N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide?
N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide has a molecular weight of 497.89 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 59139676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).