cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate

C25H25FN8O2 — CID 66635156

IUPACcyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1N(C(=O)OC1CCCC1)CCN2
InChIInChI=1S/C25H25FN8O2/c26-18-10-4-1-6-15(18)14-34-24-17(9-5-11-29-24)19(32-34)22-30-21(27)20-23(31-22)28-12-13-33(20)25(35)36-16-7-2-3-8-16/h1,4-6,9-11,16H,2-3,7-8,12-14H2,(H3,27,28,30,31)
InChIKeyISSRONAYGGWCPJ-UHFFFAOYSA-N
MW488.53 g/mol
LogP3.97
Rot. Bonds4

About cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate

cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate (PubChem CID 66635156) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate
PubChem CID66635156
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Namecyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1N(C(=O)OC1CCCC1)CCN2
InChIInChI=1S/C25H25FN8O2/c26-18-10-4-1-6-15(18)14-34-24-17(9-5-11-29-24)19(32-34)22-30-21(27)20-23(31-22)28-12-13-33(20)25(35)36-16-7-2-3-8-16/h1,4-6,9-11,16H,2-3,7-8,12-14H2,(H3,27,28,30,31)
InChIKeyISSRONAYGGWCPJ-UHFFFAOYSA-N
XLogP3.97
TPSA124.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate?
The IUPAC name of cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate (CID 66635156) is cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate.
What is the SMILES notation for cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate?
The canonical SMILES for cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate is Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1N(C(=O)OC1CCCC1)CCN2.
What is the InChIKey of cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate?
The InChIKey is ISSRONAYGGWCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c26-18-10-4-1-6-15(18)14-34-24-17(9-5-11-29-24)19(32-34)22-30-21(27)20-23(31-22)28-12-13-33(20)25(35)36-16-7-2-3-8-16/h1,4-6,9-11,16H,2-3,7-8,12-14H2,(H3,27,28,30,31).
What are the key properties of cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate?
cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate has a molecular weight of 488.53 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate is sourced from PubChem (CID 66635156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).