(6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine

C21H22FN5O — CID 95214069

IUPAC(6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)O[C@H](CN1CCc3[nH]nc(-c4ccccc4F)c3C1)C2
InChIInChI=1S/C21H22FN5O/c1-12-16-9-14(28-21(16)24-13(2)23-12)10-27-8-7-19-17(11-27)20(26-25-19)15-5-3-4-6-18(15)22/h3-6,14H,7-11H2,1-2H3,(H,25,26)/t14-/m0/s1
InChIKeyBMVGYBURIZDDJQ-AWEZNQCLSA-N
MW379.44 g/mol
LogP2.98
Rot. Bonds3

About (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine

(6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 95214069) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name(6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID95214069
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name(6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)O[C@H](CN1CCc3[nH]nc(-c4ccccc4F)c3C1)C2
InChIInChI=1S/C21H22FN5O/c1-12-16-9-14(28-21(16)24-13(2)23-12)10-27-8-7-19-17(11-27)20(26-25-19)15-5-3-4-6-18(15)22/h3-6,14H,7-11H2,1-2H3,(H,25,26)/t14-/m0/s1
InChIKeyBMVGYBURIZDDJQ-AWEZNQCLSA-N
XLogP2.98
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine (CID 95214069) is (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine is Cc1nc(C)c2c(n1)O[C@H](CN1CCc3[nH]nc(-c4ccccc4F)c3C1)C2.
What is the InChIKey of (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is BMVGYBURIZDDJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-12-16-9-14(28-21(16)24-13(2)23-12)10-27-8-7-19-17(11-27)20(26-25-19)15-5-3-4-6-18(15)22/h3-6,14H,7-11H2,1-2H3,(H,25,26)/t14-/m0/s1.
What are the key properties of (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
(6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 379.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 95214069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).