[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone

C19H25N5O3 — CID 146115195

IUPAC[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)c3n[nH]c4c3C[C@H](C)O[C@@H]4C)CC2)c1
InChIInChI=1S/C19H25N5O3/c1-12-10-15-17(13(2)27-12)21-22-18(15)19(25)24-8-6-23(7-9-24)16-11-14(26-3)4-5-20-16/h4-5,11-13H,6-10H2,1-3H3,(H,21,22)/t12-,13+/m0/s1
InChIKeyODAIJDVBRYCYQS-QWHCGFSZSA-N
MW371.44 g/mol
LogP1.80
Rot. Bonds3

About [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone

[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 146115195) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID146115195
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)c3n[nH]c4c3C[C@H](C)O[C@@H]4C)CC2)c1
InChIInChI=1S/C19H25N5O3/c1-12-10-15-17(13(2)27-12)21-22-18(15)19(25)24-8-6-23(7-9-24)16-11-14(26-3)4-5-20-16/h4-5,11-13H,6-10H2,1-3H3,(H,21,22)/t12-,13+/m0/s1
InChIKeyODAIJDVBRYCYQS-QWHCGFSZSA-N
XLogP1.80
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 146102968
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methanone
CID 146115320
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[3-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 146101470
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone
CID 146111327
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 146102568
(4-benzylidenepiperidin-1-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146102981
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone
CID 167832385
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 146115378
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 154738408
(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146115488
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 146111343
[4-(azetidin-1-yl)-4-methylpiperidin-1-yl]-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101794

Frequently Asked Questions

What is the IUPAC name of [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone (CID 146115195) is [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone is COc1ccnc(N2CCN(C(=O)c3n[nH]c4c3C[C@H](C)O[C@@H]4C)CC2)c1.
What is the InChIKey of [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is ODAIJDVBRYCYQS-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12-10-15-17(13(2)27-12)21-22-18(15)19(25)24-8-6-23(7-9-24)16-11-14(26-3)4-5-20-16/h4-5,11-13H,6-10H2,1-3H3,(H,21,22)/t12-,13+/m0/s1.
What are the key properties of [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146115195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).