4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine

C17H14FN7 — CID 169305885

IUPAC4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(-c2c(-c3ccc(F)cn3)nn3c2CCC3)c2cn[nH]c2n1
InChIInChI=1S/C17H14FN7/c1-9-21-15(11-8-20-23-17(11)22-9)14-13-3-2-6-25(13)24-16(14)12-5-4-10(18)7-19-12/h4-5,7-8H,2-3,6H2,1H3,(H,20,21,22,23)
InChIKeyKBDSMJALEGZKPM-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.67
Rot. Bonds2

About 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine

4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 169305885) has the molecular formula C17H14FN7 and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID169305885
Molecular FormulaC17H14FN7
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(-c2c(-c3ccc(F)cn3)nn3c2CCC3)c2cn[nH]c2n1
InChIInChI=1S/C17H14FN7/c1-9-21-15(11-8-20-23-17(11)22-9)14-13-3-2-6-25(13)24-16(14)12-5-4-10(18)7-19-12/h4-5,7-8H,2-3,6H2,1H3,(H,20,21,22,23)
InChIKeyKBDSMJALEGZKPM-UHFFFAOYSA-N
XLogP2.67
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine (CID 169305885) is 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine is Cc1nc(-c2c(-c3ccc(F)cn3)nn3c2CCC3)c2cn[nH]c2n1.
What is the InChIKey of 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is KBDSMJALEGZKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7/c1-9-21-15(11-8-20-23-17(11)22-9)14-13-3-2-6-25(13)24-16(14)12-5-4-10(18)7-19-12/h4-5,7-8H,2-3,6H2,1H3,(H,20,21,22,23).
What are the key properties of 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine?
4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 335.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 169305885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).