5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C27H23FN4O3 — CID 150961981

IUPAC5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(-c3ccncc3)cc2C1)c1cc2n(n1)CCC(c1ccccc1F)O2
InChIInChI=1S/C27H23FN4O3/c28-22-4-2-1-3-21(22)25-9-12-32-26(35-25)15-23(31-32)27(33)30-20-14-19-13-18(5-6-24(19)34-16-20)17-7-10-29-11-8-17/h1-8,10-11,13,15,20,25H,9,12,14,16H2,(H,30,33)/t20-,25?/m1/s1
InChIKeyLMHJOZDPZGPVNV-VGOKPJQXSA-N
MW470.50 g/mol
LogP4.34
Rot. Bonds4

About 5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 150961981) has the molecular formula C27H23FN4O3 and a molecular weight of 470.50 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID150961981
Molecular FormulaC27H23FN4O3
Molecular Weight470.50 g/mol
Exact Mass470.18
IUPAC Name5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(-c3ccncc3)cc2C1)c1cc2n(n1)CCC(c1ccccc1F)O2
InChIInChI=1S/C27H23FN4O3/c28-22-4-2-1-3-21(22)25-9-12-32-26(35-25)15-23(31-32)27(33)30-20-14-19-13-18(5-6-24(19)34-16-20)17-7-10-29-11-8-17/h1-8,10-11,13,15,20,25H,9,12,14,16H2,(H,30,33)/t20-,25?/m1/s1
InChIKeyLMHJOZDPZGPVNV-VGOKPJQXSA-N
XLogP4.34
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 150961981) is 5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(N[C@H]1COc2ccc(-c3ccncc3)cc2C1)c1cc2n(n1)CCC(c1ccccc1F)O2.
What is the InChIKey of 5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is LMHJOZDPZGPVNV-VGOKPJQXSA-N. The full InChI is InChI=1S/C27H23FN4O3/c28-22-4-2-1-3-21(22)25-9-12-32-26(35-25)15-23(31-32)27(33)30-20-14-19-13-18(5-6-24(19)34-16-20)17-7-10-29-11-8-17/h1-8,10-11,13,15,20,25H,9,12,14,16H2,(H,30,33)/t20-,25?/m1/s1.
What are the key properties of 5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[(3R)-6-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 150961981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).