N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide

C18H23FN4OS — CID 177050377

IUPACN-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H]1CCn2nc(-c3cc(C4CC4)ncc3F)cc21
InChIInChI=1S/C18H23FN4OS/c1-18(2,3)25(24)22-14-6-7-23-17(14)9-16(21-23)12-8-15(11-4-5-11)20-10-13(12)19/h8-11,14,22H,4-7H2,1-3H3/t14-,25?/m0/s1
InChIKeyAIEZRGNLMAVYQB-GQBYZMJGSA-N
MW362.47 g/mol
LogP3.46
Rot. Bonds4

About N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide

N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 177050377) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID177050377
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC NameN-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H]1CCn2nc(-c3cc(C4CC4)ncc3F)cc21
InChIInChI=1S/C18H23FN4OS/c1-18(2,3)25(24)22-14-6-7-23-17(14)9-16(21-23)12-8-15(11-4-5-11)20-10-13(12)19/h8-11,14,22H,4-7H2,1-3H3/t14-,25?/m0/s1
InChIKeyAIEZRGNLMAVYQB-GQBYZMJGSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide (CID 177050377) is N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@H]1CCn2nc(-c3cc(C4CC4)ncc3F)cc21.
What is the InChIKey of N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is AIEZRGNLMAVYQB-GQBYZMJGSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-18(2,3)25(24)22-14-6-7-23-17(14)9-16(21-23)12-8-15(11-4-5-11)20-10-13(12)19/h8-11,14,22H,4-7H2,1-3H3/t14-,25?/m0/s1.
What are the key properties of N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide?
N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 362.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 177050377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).