N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C23H24ClN7O2 — CID 11561779

IUPACN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3[nH]nc(OCCN4CCCC4)c23)ccc1OCc1ccccn1
InChIInChI=1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30)
InChIKeyKOQXIMMOAUHZFN-UHFFFAOYSA-N
MW465.95 g/mol
LogP4.20
Rot. Bonds9

About N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11561779) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11561779
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3[nH]nc(OCCN4CCCC4)c23)ccc1OCc1ccccn1
InChIInChI=1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30)
InChIKeyKOQXIMMOAUHZFN-UHFFFAOYSA-N
XLogP4.20
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11561779) is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Clc1cc(Nc2ncnc3[nH]nc(OCCN4CCCC4)c23)ccc1OCc1ccccn1.
What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KOQXIMMOAUHZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30).
What are the key properties of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 465.95 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11561779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).