N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide

C21H20FN5O — CID 167130611

IUPACN-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide
SMILESO=CNc1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C2CC2)CC3)ccn1
InChIInChI=1S/C21H20FN5O/c22-16-3-1-14(2-4-16)21-20(15-7-8-23-19(11-15)24-13-28)18-12-26(17-5-6-17)9-10-27(18)25-21/h1-4,7-8,11,13,17H,5-6,9-10,12H2,(H,23,24,28)
InChIKeySMVFLBKYRGDROL-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.30
Rot. Bonds5

About N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide

N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide (PubChem CID 167130611) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide
PubChem CID167130611
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC NameN-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide
SMILESO=CNc1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C2CC2)CC3)ccn1
InChIInChI=1S/C21H20FN5O/c22-16-3-1-14(2-4-16)21-20(15-7-8-23-19(11-15)24-13-28)18-12-26(17-5-6-17)9-10-27(18)25-21/h1-4,7-8,11,13,17H,5-6,9-10,12H2,(H,23,24,28)
InChIKeySMVFLBKYRGDROL-UHFFFAOYSA-N
XLogP3.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide?
The IUPAC name of N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide (CID 167130611) is N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide.
What is the SMILES notation for N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide?
The canonical SMILES for N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide is O=CNc1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C2CC2)CC3)ccn1.
What is the InChIKey of N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide?
The InChIKey is SMVFLBKYRGDROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-16-3-1-14(2-4-16)21-20(15-7-8-23-19(11-15)24-13-28)18-12-26(17-5-6-17)9-10-27(18)25-21/h1-4,7-8,11,13,17H,5-6,9-10,12H2,(H,23,24,28).
What are the key properties of N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide?
N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide has a molecular weight of 377.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide is sourced from PubChem (CID 167130611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).