[1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C60H68F4N14O5 — CID 162002531

IUPAC[1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(N(Cc2ccc(OC)cc2)Cc2cnn(C(F)F)c2)c2c(n1)c(C)nn2C(C)C.CCOc1ncccc1-c1cc(NCc2ccc(OC)cc2)c2c(n1)c(C)nn2C(C)C.OCc1cnn(C(F)F)c1
InChIInChI=1S/C30H33F2N7O2.C25H29N5O2.C5H6F2N2O/c1-6-41-29-24(8-7-13-33-29)25-14-26(28-27(35-25)20(4)36-39(28)19(2)3)37(16-21-9-11-23(40-5)12-10-21)17-22-15-34-38(18-22)30(31)32;1-6-32-25-20(8-7-13-26-25)21-14-22(27-15-18-9-11-19(31-5)12-10-18)24-23(28-21)17(4)29-30(24)16(2)3;6-5(7)9-2-4(3-10)1-8-9/h7-15,18-19,30H,6,16-17H2,1-5H3;7-14,16H,6,15H2,1-5H3,(H,27,28);1-2,5,10H,3H2
InChIKeyYSKCERFKVSHMNC-UHFFFAOYSA-N
MW1141.29 g/mol
LogP12.76
Rot. Bonds21

About [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

[1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 162002531) has the molecular formula C60H68F4N14O5 and a molecular weight of 1141.29 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID162002531
Molecular FormulaC60H68F4N14O5
Molecular Weight1141.29 g/mol
Exact Mass1140.54
IUPAC Name[1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(N(Cc2ccc(OC)cc2)Cc2cnn(C(F)F)c2)c2c(n1)c(C)nn2C(C)C.CCOc1ncccc1-c1cc(NCc2ccc(OC)cc2)c2c(n1)c(C)nn2C(C)C.OCc1cnn(C(F)F)c1
InChIInChI=1S/C30H33F2N7O2.C25H29N5O2.C5H6F2N2O/c1-6-41-29-24(8-7-13-33-29)25-14-26(28-27(35-25)20(4)36-39(28)19(2)3)37(16-21-9-11-23(40-5)12-10-21)17-22-15-34-38(18-22)30(31)32;1-6-32-25-20(8-7-13-26-25)21-14-22(27-15-18-9-11-19(31-5)12-10-18)24-23(28-21)17(4)29-30(24)16(2)3;6-5(7)9-2-4(3-10)1-8-9/h7-15,18-19,30H,6,16-17H2,1-5H3;7-14,16H,6,15H2,1-5H3,(H,27,28);1-2,5,10H,3H2
InChIKeyYSKCERFKVSHMNC-UHFFFAOYSA-N
XLogP12.76
TPSA195.26 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001141.29
LogP ≤ 512.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine with MolForge

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Related Compounds

US10034861, Example 165
CID 132273284
US10034861, Example 77
CID 132273376
US10034861, Example 199
CID 132273487
US10034861, Example 107
CID 132273405
US10034861, Example 117
CID 132273416
US10766893, Example S165
CID 132273458
US10034861, Example 178
CID 132273469
US10034861, Example 184
CID 132273473
US10806718, Example 165
CID 146593933
US10034861, Example 81
CID 132273378
US10034861, Example 102
CID 132273400
5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-[4-[[1-[2-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)ethyl]triazol-4-yl]methoxy]phenyl]-21,23-dihydroporphyrin
CID 136238805

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 162002531) is [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(N(Cc2ccc(OC)cc2)Cc2cnn(C(F)F)c2)c2c(n1)c(C)nn2C(C)C.CCOc1ncccc1-c1cc(NCc2ccc(OC)cc2)c2c(n1)c(C)nn2C(C)C.OCc1cnn(C(F)F)c1.
What is the InChIKey of [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is YSKCERFKVSHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N7O2.C25H29N5O2.C5H6F2N2O/c1-6-41-29-24(8-7-13-33-29)25-14-26(28-27(35-25)20(4)36-39(28)19(2)3)37(16-21-9-11-23(40-5)12-10-21)17-22-15-34-38(18-22)30(31)32;1-6-32-25-20(8-7-13-26-25)21-14-22(27-15-18-9-11-19(31-5)12-10-18)24-23(28-21)17(4)29-30(24)16(2)3;6-5(7)9-2-4(3-10)1-8-9/h7-15,18-19,30H,6,16-17H2,1-5H3;7-14,16H,6,15H2,1-5H3,(H,27,28);1-2,5,10H,3H2.
What are the key properties of [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
[1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 1141.29 g/mol, XLogP of 12.76, 21 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-4-yl]methanol;N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine;5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 162002531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).