[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

C19H24FN5O2 — CID 146110775

IUPAC[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCN(c4ccc(F)cn4)CC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C19H24FN5O2/c1-12-10-15-17(22-23(3)18(15)13(2)27-12)19(26)25-8-6-24(7-9-25)16-5-4-14(20)11-21-16/h4-5,11-13H,6-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyAFIYNVOQJMMDDD-OLZOCXBDSA-N
MW373.43 g/mol
LogP1.94
Rot. Bonds2

About [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 146110775) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID146110775
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCN(c4ccc(F)cn4)CC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C19H24FN5O2/c1-12-10-15-17(22-23(3)18(15)13(2)27-12)19(26)25-8-6-24(7-9-25)16-5-4-14(20)11-21-16/h4-5,11-13H,6-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyAFIYNVOQJMMDDD-OLZOCXBDSA-N
XLogP1.94
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone with MolForge

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Related Compounds

5-(5-Methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(5-fluoropyridin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 67974411
2-[(3-Fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 70654545
N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087452
US9834554, Example 2
CID 118173514
US9834554, Example 3
CID 118173609
US11186582, Example 546
CID 118471441
US11186582, Example 384
CID 118472562
US11186582, Example 380
CID 118472643
US11186582, Example 333
CID 118479614
US11186582, Example 332
CID 118479747

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The IUPAC name of [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (CID 146110775) is [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The canonical SMILES for [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is C[C@@H]1Cc2c(C(=O)N3CCN(c4ccc(F)cn4)CC3)nn(C)c2[C@H](C)O1.
What is the InChIKey of [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is AFIYNVOQJMMDDD-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-12-10-15-17(22-23(3)18(15)13(2)27-12)19(26)25-8-6-24(7-9-25)16-5-4-14(20)11-21-16/h4-5,11-13H,6-10H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone has a molecular weight of 373.43 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 146110775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).