(1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid

C26H24FN5O3 — CID 145178605

IUPAC(1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid
SMILESCCc1cc(C(=O)N2CCn3cccc3C2)nc2cc(-c3ccc(C4C[C@@H]4C(=O)O)cc3F)nn12
InChIInChI=1S/C26H24FN5O3/c1-2-16-11-23(25(33)31-9-8-30-7-3-4-17(30)14-31)28-24-13-22(29-32(16)24)18-6-5-15(10-21(18)27)19-12-20(19)26(34)35/h3-7,10-11,13,19-20H,2,8-9,12,14H2,1H3,(H,34,35)/t19?,20-/m0/s1
InChIKeyJADGYCUWKNJYCF-ANYOKISRSA-N
MW473.51 g/mol
LogP3.74
Rot. Bonds5

About (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid

(1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid (PubChem CID 145178605) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid
PubChem CID145178605
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name(1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid
SMILESCCc1cc(C(=O)N2CCn3cccc3C2)nc2cc(-c3ccc(C4C[C@@H]4C(=O)O)cc3F)nn12
InChIInChI=1S/C26H24FN5O3/c1-2-16-11-23(25(33)31-9-8-30-7-3-4-17(30)14-31)28-24-13-22(29-32(16)24)18-6-5-15(10-21(18)27)19-12-20(19)26(34)35/h3-7,10-11,13,19-20H,2,8-9,12,14H2,1H3,(H,34,35)/t19?,20-/m0/s1
InChIKeyJADGYCUWKNJYCF-ANYOKISRSA-N
XLogP3.74
TPSA92.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid (CID 145178605) is (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid is CCc1cc(C(=O)N2CCn3cccc3C2)nc2cc(-c3ccc(C4C[C@@H]4C(=O)O)cc3F)nn12.
What is the InChIKey of (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid?
The InChIKey is JADGYCUWKNJYCF-ANYOKISRSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-2-16-11-23(25(33)31-9-8-30-7-3-4-17(30)14-31)28-24-13-22(29-32(16)24)18-6-5-15(10-21(18)27)19-12-20(19)26(34)35/h3-7,10-11,13,19-20H,2,8-9,12,14H2,1H3,(H,34,35)/t19?,20-/m0/s1.
What are the key properties of (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid?
(1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid has a molecular weight of 473.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-[5-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 145178605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).