(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride

C18H24ClF2N5O2 — CID 175914965

IUPAC(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride
SMILESCOc1ncccc1Cn1cc(NC(=O)[C@@H](N)C2CCC(F)(F)CC2)cn1.Cl
InChIInChI=1S/C18H23F2N5O2.ClH/c1-27-17-13(3-2-8-22-17)10-25-11-14(9-23-25)24-16(26)15(21)12-4-6-18(19,20)7-5-12;/h2-3,8-9,11-12,15H,4-7,10,21H2,1H3,(H,24,26);1H/t15-;/m0./s1
InChIKeyMHZLLVZTQVKFSZ-RSAXXLAASA-N
MW415.87 g/mol
LogP2.85
Rot. Bonds6

About (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride

(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride (PubChem CID 175914965) has the molecular formula C18H24ClF2N5O2 and a molecular weight of 415.87 g/mol. Its IUPAC name is (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride
PubChem CID175914965
Molecular FormulaC18H24ClF2N5O2
Molecular Weight415.87 g/mol
Exact Mass415.16
IUPAC Name(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride
SMILESCOc1ncccc1Cn1cc(NC(=O)[C@@H](N)C2CCC(F)(F)CC2)cn1.Cl
InChIInChI=1S/C18H23F2N5O2.ClH/c1-27-17-13(3-2-8-22-17)10-25-11-14(9-23-25)24-16(26)15(21)12-4-6-18(19,20)7-5-12;/h2-3,8-9,11-12,15H,4-7,10,21H2,1H3,(H,24,26);1H/t15-;/m0./s1
InChIKeyMHZLLVZTQVKFSZ-RSAXXLAASA-N
XLogP2.85
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 120799505
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CID 174073139
(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
CID 119871202
(2S)-2-amino-3,3-dicyclopropyl-N-[1-[3,3-difluoro-1-(2-methoxy-3-pyridinyl)propyl]pyrazol-4-yl]propanamide
CID 168935691
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017726
methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate
CID 107344753
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
1-(2-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)urea
CID 47264478
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 64824935
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride (CID 175914965) is (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride is COc1ncccc1Cn1cc(NC(=O)[C@@H](N)C2CCC(F)(F)CC2)cn1.Cl.
What is the InChIKey of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride?
The InChIKey is MHZLLVZTQVKFSZ-RSAXXLAASA-N. The full InChI is InChI=1S/C18H23F2N5O2.ClH/c1-27-17-13(3-2-8-22-17)10-25-11-14(9-23-25)24-16(26)15(21)12-4-6-18(19,20)7-5-12;/h2-3,8-9,11-12,15H,4-7,10,21H2,1H3,(H,24,26);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride?
(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride has a molecular weight of 415.87 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 175914965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).