[4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate

C19H25N5O4 — CID 87184922

IUPAC[4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ON1CCC(n2cc(-c3cnc(N)c(C=O)c3)cn2)CC1
InChIInChI=1S/C19H25N5O4/c1-19(2,3)27-18(26)28-23-6-4-16(5-7-23)24-11-15(10-22-24)13-8-14(12-25)17(20)21-9-13/h8-12,16H,4-7H2,1-3H3,(H2,20,21)
InChIKeyVIHUWWRCDPTVGQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.84
Rot. Bonds4

About [4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate

[4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate (PubChem CID 87184922) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate.

Molecular Properties

Compound Name[4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate
PubChem CID87184922
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name[4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ON1CCC(n2cc(-c3cnc(N)c(C=O)c3)cn2)CC1
InChIInChI=1S/C19H25N5O4/c1-19(2,3)27-18(26)28-23-6-4-16(5-7-23)24-11-15(10-22-24)13-8-14(12-25)17(20)21-9-13/h8-12,16H,4-7H2,1-3H3,(H2,20,21)
InChIKeyVIHUWWRCDPTVGQ-UHFFFAOYSA-N
XLogP2.84
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[4-[6-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 53487960
tert-butyl 4-[4-[6-amino-5-[(4-aminophenyl)carbamoyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 164524533
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257
tert-butyl 4-[4-[6-amino-5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 164524564
tert-butyl 4-[4-(2-methylpyrimidin-5-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 123325395
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
CID 67388256
tert-butyl 4-[4-[6-amino-5-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 164524549
methyl 2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxylate
CID 67388698
tert-butyl 4-[4-[6-amino-5-(3-chloro-1-benzofuran-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67520782
tert-butyl 4-[4-[6-amino-5-[6-(trifluoromethyl)isoquinolin-3-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67521285
tert-butyl 4-[4-[6-amino-5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 118110212
tert-butyl 4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 90288181

Frequently Asked Questions

What is the IUPAC name of [4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate?
The IUPAC name of [4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate (CID 87184922) is [4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate.
What is the SMILES notation for [4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate?
The canonical SMILES for [4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate is CC(C)(C)OC(=O)ON1CCC(n2cc(-c3cnc(N)c(C=O)c3)cn2)CC1.
What is the InChIKey of [4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate?
The InChIKey is VIHUWWRCDPTVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-19(2,3)27-18(26)28-23-6-4-16(5-7-23)24-11-15(10-22-24)13-8-14(12-25)17(20)21-9-13/h8-12,16H,4-7H2,1-3H3,(H2,20,21).
What are the key properties of [4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate?
[4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate has a molecular weight of 387.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(6-amino-5-formyl-3-pyridinyl)pyrazol-1-yl]piperidin-1-yl] tert-butyl carbonate is sourced from PubChem (CID 87184922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).