5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C28H28FN5O2 — CID 155260056

IUPAC5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1ccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)c3cc5c(C)c(F)ccc5[nH]3)CC4)CC2)cc1
InChIInChI=1S/C28H28FN5O2/c1-17-4-6-19(7-5-17)28(10-11-28)32(3)26(35)21-15-30-34-13-12-33(16-25(21)34)27(36)24-14-20-18(2)22(29)8-9-23(20)31-24/h4-9,14-15,31H,10-13,16H2,1-3H3
InChIKeyRRCVVHAEMYLCTE-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.54
Rot. Bonds4

About 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 155260056) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID155260056
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1ccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)c3cc5c(C)c(F)ccc5[nH]3)CC4)CC2)cc1
InChIInChI=1S/C28H28FN5O2/c1-17-4-6-19(7-5-17)28(10-11-28)32(3)26(35)21-15-30-34-13-12-33(16-25(21)34)27(36)24-14-20-18(2)22(29)8-9-23(20)31-24/h4-9,14-15,31H,10-13,16H2,1-3H3
InChIKeyRRCVVHAEMYLCTE-UHFFFAOYSA-N
XLogP4.54
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 155260056) is 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is Cc1ccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)c3cc5c(C)c(F)ccc5[nH]3)CC4)CC2)cc1.
What is the InChIKey of 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is RRCVVHAEMYLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-17-4-6-19(7-5-17)28(10-11-28)32(3)26(35)21-15-30-34-13-12-33(16-25(21)34)27(36)24-14-20-18(2)22(29)8-9-23(20)31-24/h4-9,14-15,31H,10-13,16H2,1-3H3.
What are the key properties of 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 155260056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).