6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol

C25H25N9O2 — CID 155102763

IUPAC6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol
SMILESOc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(C5CCOC5)c4n3)CC2)nc1
InChIInChI=1S/C25H25N9O2/c35-19-5-6-21(26-14-19)31-8-10-32(11-9-31)25-29-23-22(27-16-33(23)18-7-12-36-15-18)24(30-25)34-20-4-2-1-3-17(20)13-28-34/h1-6,13-14,16,18,35H,7-12,15H2
InChIKeyFSCPDXMQQVKRIY-UHFFFAOYSA-N
MW483.54 g/mol
LogP2.55
Rot. Bonds4

About 6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol

6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol (PubChem CID 155102763) has the molecular formula C25H25N9O2 and a molecular weight of 483.54 g/mol. Its IUPAC name is 6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol
PubChem CID155102763
Molecular FormulaC25H25N9O2
Molecular Weight483.54 g/mol
Exact Mass483.21
IUPAC Name6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol
SMILESOc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(C5CCOC5)c4n3)CC2)nc1
InChIInChI=1S/C25H25N9O2/c35-19-5-6-21(26-14-19)31-8-10-32(11-9-31)25-29-23-22(27-16-33(23)18-7-12-36-15-18)24(30-25)34-20-4-2-1-3-17(20)13-28-34/h1-6,13-14,16,18,35H,7-12,15H2
InChIKeyFSCPDXMQQVKRIY-UHFFFAOYSA-N
XLogP2.55
TPSA110.25 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol?
The IUPAC name of 6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol (CID 155102763) is 6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol.
What is the SMILES notation for 6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol?
The canonical SMILES for 6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol is Oc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(C5CCOC5)c4n3)CC2)nc1.
What is the InChIKey of 6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol?
The InChIKey is FSCPDXMQQVKRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O2/c35-19-5-6-21(26-14-19)31-8-10-32(11-9-31)25-29-23-22(27-16-33(23)18-7-12-36-15-18)24(30-25)34-20-4-2-1-3-17(20)13-28-34/h1-6,13-14,16,18,35H,7-12,15H2.
What are the key properties of 6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol?
6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol has a molecular weight of 483.54 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-indazol-1-yl-9-(oxolan-3-yl)purin-2-yl]piperazin-1-yl]pyridin-3-ol is sourced from PubChem (CID 155102763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).