N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide

C22H28N6O3 — CID 171719188

IUPACN-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2cc([C@@H]3CC[C@H](Oc4c(C)ccnc4C)C3)[nH]n2)n(C)n1
InChIInChI=1S/C22H28N6O3/c1-13-7-8-23-14(2)21(13)31-17-6-5-15(9-17)18-11-20(26-25-18)24-22(29)19-10-16(12-30-4)27-28(19)3/h7-8,10-11,15,17H,5-6,9,12H2,1-4H3,(H2,24,25,26,29)/t15-,17+/m1/s1
InChIKeyACZMQOQGBSUHDO-WBVHZDCISA-N
MW424.51 g/mol
LogP3.27
Rot. Bonds7

About N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide

N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 171719188) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
PubChem CID171719188
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2cc([C@@H]3CC[C@H](Oc4c(C)ccnc4C)C3)[nH]n2)n(C)n1
InChIInChI=1S/C22H28N6O3/c1-13-7-8-23-14(2)21(13)31-17-6-5-15(9-17)18-11-20(26-25-18)24-22(29)19-10-16(12-30-4)27-28(19)3/h7-8,10-11,15,17H,5-6,9,12H2,1-4H3,(H2,24,25,26,29)/t15-,17+/m1/s1
InChIKeyACZMQOQGBSUHDO-WBVHZDCISA-N
XLogP3.27
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 171719207
[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate
CID 170073133
3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 170073507
3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 164879753
N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 169143537
[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169141951
N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 164880253
N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 171719219
[(1S,2R,3S)-2-fluoro-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143466
[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616406
[(1R,3S)-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[9-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]nonyl]carbamate
CID 166118401
[3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025571

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide (CID 171719188) is N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide is COCc1cc(C(=O)Nc2cc([C@@H]3CC[C@H](Oc4c(C)ccnc4C)C3)[nH]n2)n(C)n1.
What is the InChIKey of N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is ACZMQOQGBSUHDO-WBVHZDCISA-N. The full InChI is InChI=1S/C22H28N6O3/c1-13-7-8-23-14(2)21(13)31-17-6-5-15(9-17)18-11-20(26-25-18)24-22(29)19-10-16(12-30-4)27-28(19)3/h7-8,10-11,15,17H,5-6,9,12H2,1-4H3,(H2,24,25,26,29)/t15-,17+/m1/s1.
What are the key properties of N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?
N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 171719188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).