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

C23H20ClN7O2 — CID 59139707

IUPACN-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide
SMILESCC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4ccc5ccnn5c4)c(Cl)c3)c21
InChIInChI=1S/C23H20ClN7O2/c1-15(32)25-9-11-30-10-7-20-22(30)23(27-14-26-20)29-16-2-5-21(19(24)12-16)33-18-4-3-17-6-8-28-31(17)13-18/h2-8,10,12-14H,9,11H2,1H3,(H,25,32)(H,26,27,29)
InChIKeyPQVXJFSJMIHUFY-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.40
Rot. Bonds7

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

N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide (PubChem CID 59139707) has the molecular formula C23H20ClN7O2 and a molecular weight of 461.91 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]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide
PubChem CID59139707
Molecular FormulaC23H20ClN7O2
Molecular Weight461.91 g/mol
Exact Mass461.14
IUPAC NameN-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide
SMILESCC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4ccc5ccnn5c4)c(Cl)c3)c21
InChIInChI=1S/C23H20ClN7O2/c1-15(32)25-9-11-30-10-7-20-22(30)23(27-14-26-20)29-16-2-5-21(19(24)12-16)33-18-4-3-17-6-8-28-31(17)13-18/h2-8,10,12-14H,9,11H2,1H3,(H,25,32)(H,26,27,29)
InChIKeyPQVXJFSJMIHUFY-UHFFFAOYSA-N
XLogP4.40
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 68660763
N-[2-[4-[3-chloro-4-[3-(1-fluoroethenyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide
CID 91275759
N-[3-chloro-4-(3-chlorophenoxy)phenyl]-5-[2-(methylamino)ethyl]pyrrolo[3,2-d]pyrimidin-4-amine;dihydrochloride
CID 68612339
N-[2-[4-[3-chloro-4-(3-cyanophenoxy)anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methyl-2-methylsulfonylpropanamide
CID 59453193
N-[2-[4-[3-chloro-4-[3-(1-fluoroethenyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide
CID 91404964
tert-butyl N-[2-[4-[4-(1-benzothiophen-6-yloxy)-3-chloroanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]carbamate
CID 86637820
N-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methylbutanamide
CID 11620908
N-[2-[4-[3-chloro-4-[3-(2-methylpropoxy)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide
CID 59453239
N-[2-[4-[3-chloro-4-[3-(cyclopropylmethylsulfonyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methyl-2-methylsulfonylpropanamide
CID 59453289
N-[2-[4-[4-(1-benzothiophen-6-yloxy)-3-chloroanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide
CID 25026280
N-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-methoxy-3-methylbutanamide
CID 123703092
N-[2-[4-[3-chloro-4-[3-(1-cyanocyclopropyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide
CID 16738136

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]acetamide?
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]acetamide (CID 59139707) is N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide.
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]acetamide?
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]acetamide is CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4ccc5ccnn5c4)c(Cl)c3)c21.
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]acetamide?
The InChIKey is PQVXJFSJMIHUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O2/c1-15(32)25-9-11-30-10-7-20-22(30)23(27-14-26-20)29-16-2-5-21(19(24)12-16)33-18-4-3-17-6-8-28-31(17)13-18/h2-8,10,12-14H,9,11H2,1H3,(H,25,32)(H,26,27,29).
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]acetamide?
N-[2-[4-(3-chloro-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide has a molecular weight of 461.91 g/mol, XLogP of 4.40, 7 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]acetamide is sourced from PubChem (CID 59139707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).