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

C23H24ClN7O3 — CID 11619972

IUPACN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3[nH]nc(OCCN4CCOCC4)c23)ccc1OCc1ccccn1
InChIInChI=1S/C23H24ClN7O3/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-25-17)28-21-20-22(27-15-26-21)29-30-23(20)33-12-9-31-7-10-32-11-8-31/h1-6,13,15H,7-12,14H2,(H2,26,27,28,29,30)
InChIKeyGOWVVIDXCJWUFJ-UHFFFAOYSA-N
MW481.94 g/mol
LogP3.43
Rot. Bonds9

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

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11619972) has the molecular formula C23H24ClN7O3 and a molecular weight of 481.94 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11619972
Molecular FormulaC23H24ClN7O3
Molecular Weight481.94 g/mol
Exact Mass481.16
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3[nH]nc(OCCN4CCOCC4)c23)ccc1OCc1ccccn1
InChIInChI=1S/C23H24ClN7O3/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-25-17)28-21-20-22(27-15-26-21)29-30-23(20)33-12-9-31-7-10-32-11-8-31/h1-6,13,15H,7-12,14H2,(H2,26,27,28,29,30)
InChIKeyGOWVVIDXCJWUFJ-UHFFFAOYSA-N
XLogP3.43
TPSA110.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11619972) is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-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-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Clc1cc(Nc2ncnc3[nH]nc(OCCN4CCOCC4)c23)ccc1OCc1ccccn1.
What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GOWVVIDXCJWUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O3/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-25-17)28-21-20-22(27-15-26-21)29-30-23(20)33-12-9-31-7-10-32-11-8-31/h1-6,13,15H,7-12,14H2,(H2,26,27,28,29,30).
What are the key properties of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 481.94 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11619972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).