2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide

C25H33N7O3 — CID 162362333

IUPAC2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(CO)cnn2C)cn1)C1CCC(C)CC1
InChIInChI=1S/C25H33N7O3/c1-4-32-20(11-12-27-32)24(34)30-22(17-7-5-16(2)6-8-17)25(35)29-21-10-9-18(13-26-21)23-19(15-33)14-28-31(23)3/h9-14,16-17,22,33H,4-8,15H2,1-3H3,(H,30,34)(H,26,29,35)/t16?,17?,22-/m0/s1
InChIKeyPQKRRZXMGASOPE-XWTGJVNOSA-N
MW479.59 g/mol
LogP2.75
Rot. Bonds8

About 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide

2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide (PubChem CID 162362333) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide
PubChem CID162362333
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC Name2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(CO)cnn2C)cn1)C1CCC(C)CC1
InChIInChI=1S/C25H33N7O3/c1-4-32-20(11-12-27-32)24(34)30-22(17-7-5-16(2)6-8-17)25(35)29-21-10-9-18(13-26-21)23-19(15-33)14-28-31(23)3/h9-14,16-17,22,33H,4-8,15H2,1-3H3,(H,30,34)(H,26,29,35)/t16?,17?,22-/m0/s1
InChIKeyPQKRRZXMGASOPE-XWTGJVNOSA-N
XLogP2.75
TPSA126.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide (CID 162362333) is 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(CO)cnn2C)cn1)C1CCC(C)CC1.
What is the InChIKey of 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide?
The InChIKey is PQKRRZXMGASOPE-XWTGJVNOSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-4-32-20(11-12-27-32)24(34)30-22(17-7-5-16(2)6-8-17)25(35)29-21-10-9-18(13-26-21)23-19(15-33)14-28-31(23)3/h9-14,16-17,22,33H,4-8,15H2,1-3H3,(H,30,34)(H,26,29,35)/t16?,17?,22-/m0/s1.
What are the key properties of 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide?
2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide has a molecular weight of 479.59 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1S)-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 162362333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).