N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide

C25H33N7O3 — CID 162362451

IUPACN-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(CO)cnn2C)cn1)C1CCCCCC1
InChIInChI=1S/C25H33N7O3/c1-3-32-20(12-13-27-32)24(34)30-22(17-8-6-4-5-7-9-17)25(35)29-21-11-10-18(14-26-21)23-19(16-33)15-28-31(23)2/h10-15,17,22,33H,3-9,16H2,1-2H3,(H,30,34)(H,26,29,35)/t22-/m0/s1
InChIKeyMSYBCRVOHMLHID-QFIPXVFZSA-N
MW479.59 g/mol
LogP2.90
Rot. Bonds8

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

N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 162362451) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
PubChem CID162362451
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC NameN-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(CO)cnn2C)cn1)C1CCCCCC1
InChIInChI=1S/C25H33N7O3/c1-3-32-20(12-13-27-32)24(34)30-22(17-8-6-4-5-7-9-17)25(35)29-21-11-10-18(14-26-21)23-19(16-33)15-28-31(23)2/h10-15,17,22,33H,3-9,16H2,1-2H3,(H,30,34)(H,26,29,35)/t22-/m0/s1
InChIKeyMSYBCRVOHMLHID-QFIPXVFZSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

US9586948, Example 46
CID 117872315
N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129746
US20230286943, Example 104
CID 162362235
US20230286943, Example 105
CID 162362346
US20230286943, Example 138
CID 163514102
2-[4-[5-[(1-Ethylpyrazol-4-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-10-fluoro-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one
CID 164749678
US20230286943, Example 93
CID 162362199
US20230286943, Example 18
CID 162362200
US20230286943, Example 96
CID 162362205
US20230286943, Example 85
CID 162362211
US20230286943, Example 135
CID 162362225
US20230286943, Example 67
CID 162362250

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide (CID 162362451) is N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(CO)cnn2C)cn1)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is MSYBCRVOHMLHID-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-3-32-20(12-13-27-32)24(34)30-22(17-8-6-4-5-7-9-17)25(35)29-21-11-10-18(14-26-21)23-19(16-33)15-28-31(23)2/h10-15,17,22,33H,3-9,16H2,1-2H3,(H,30,34)(H,26,29,35)/t22-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 479.59 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptyl-2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 162362451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).