(6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

About (6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 134178606) has the molecular formula C23H28F3N7O2 and a molecular weight of 491.52 g/mol. Its IUPAC name is (6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name	(6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID	134178606
Molecular Formula	C23H28F3N7O2
Molecular Weight	491.52 g/mol
Exact Mass	491.23
IUPAC Name	(6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILES	C[C@H]1Cn2ncc(N3CCC(N4CCC[C@H]4C(N)=O)C3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChI	InChI=1S/C23H28F3N7O2/c1-13-10-33-20(12-32(13)23(35)29-14-7-16(24)21(26)17(25)8-14)19(9-28-33)30-6-4-15(11-30)31-5-2-3-18(31)22(27)34/h7-9,13,15,18H,2-6,10-12H2,1H3,(H2,27,34)(H,29,35)/t13-,15?,18-/m0/s1
InChIKey	HEUACVSBPHGZPF-LWSHRDBSSA-N
XLogP	2.27
TPSA	99.73 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.52
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of (6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 134178606) is (6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for (6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for (6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CCC(N4CCC[C@H]4C(N)=O)C3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.

What is the InChIKey of (6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is HEUACVSBPHGZPF-LWSHRDBSSA-N. The full InChI is InChI=1S/C23H28F3N7O2/c1-13-10-33-20(12-32(13)23(35)29-14-7-16(24)21(26)17(25)8-14)19(9-28-33)30-6-4-15(11-30)31-5-2-3-18(31)22(27)34/h7-9,13,15,18H,2-6,10-12H2,1H3,(H2,27,34)(H,29,35)/t13-,15?,18-/m0/s1.

What are the key properties of (6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

(6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 491.52 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-3-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 134178606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).