5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine

C22H23N7O — CID 134327011

IUPAC5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1ccncc1-c1ncc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1
InChIInChI=1S/C22H23N7O/c1-28-9-11-29(12-10-28)16-5-3-15(4-6-16)20-21-18(26-27-20)14-24-22(25-21)17-13-23-8-7-19(17)30-2/h3-8,13-14H,9-12H2,1-2H3,(H,26,27)
InChIKeyOGPQLJXOHDIQPW-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.84
Rot. Bonds4

About 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine

5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 134327011) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine
PubChem CID134327011
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1ccncc1-c1ncc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1
InChIInChI=1S/C22H23N7O/c1-28-9-11-29(12-10-28)16-5-3-15(4-6-16)20-21-18(26-27-20)14-24-22(25-21)17-13-23-8-7-19(17)30-2/h3-8,13-14H,9-12H2,1-2H3,(H,26,27)
InChIKeyOGPQLJXOHDIQPW-UHFFFAOYSA-N
XLogP2.84
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine (CID 134327011) is 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine is COc1ccncc1-c1ncc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1.
What is the InChIKey of 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is OGPQLJXOHDIQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-28-9-11-29(12-10-28)16-5-3-15(4-6-16)20-21-18(26-27-20)14-24-22(25-21)17-13-23-8-7-19(17)30-2/h3-8,13-14H,9-12H2,1-2H3,(H,26,27).
What are the key properties of 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine?
5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 401.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 134327011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).