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

C27H24FN5O2 — CID 150943005

IUPAC5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(-c3cccnc3)cc2C1)c1cc2n(n1)CCN(c1ccc(F)cc1)C2
InChIInChI=1S/C27H24FN5O2/c28-21-4-6-23(7-5-21)32-10-11-33-24(16-32)14-25(31-33)27(34)30-22-13-20-12-18(3-8-26(20)35-17-22)19-2-1-9-29-15-19/h1-9,12,14-15,22H,10-11,13,16-17H2,(H,30,34)/t22-/m1/s1
InChIKeyLILJOAZSFQOVSL-JOCHJYFZSA-N
MW469.52 g/mol
LogP3.84
Rot. Bonds4

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

5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 150943005) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID150943005
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Name5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(-c3cccnc3)cc2C1)c1cc2n(n1)CCN(c1ccc(F)cc1)C2
InChIInChI=1S/C27H24FN5O2/c28-21-4-6-23(7-5-21)32-10-11-33-24(16-32)14-25(31-33)27(34)30-22-13-20-12-18(3-8-26(20)35-17-22)19-2-1-9-29-15-19/h1-9,12,14-15,22H,10-11,13,16-17H2,(H,30,34)/t22-/m1/s1
InChIKeyLILJOAZSFQOVSL-JOCHJYFZSA-N
XLogP3.84
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 150943005) is 5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(N[C@H]1COc2ccc(-c3cccnc3)cc2C1)c1cc2n(n1)CCN(c1ccc(F)cc1)C2.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is LILJOAZSFQOVSL-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H24FN5O2/c28-21-4-6-23(7-5-21)32-10-11-33-24(16-32)14-25(31-33)27(34)30-22-13-20-12-18(3-8-26(20)35-17-22)19-2-1-9-29-15-19/h1-9,12,14-15,22H,10-11,13,16-17H2,(H,30,34)/t22-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(3R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 150943005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).