1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea

C19H28N6O2 — CID 68624286

IUPAC1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC2CCNCC2)nc1
InChIInChI=1S/C19H28N6O2/c1-19(2,3)15-11-16(25(4)24-15)23-18(26)22-13-5-6-17(21-12-13)27-14-7-9-20-10-8-14/h5-6,11-12,14,20H,7-10H2,1-4H3,(H2,22,23,26)
InChIKeyWTWIQZXUTRTPEU-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.89
Rot. Bonds4

About 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea

1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea (PubChem CID 68624286) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea
PubChem CID68624286
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC2CCNCC2)nc1
InChIInChI=1S/C19H28N6O2/c1-19(2,3)15-11-16(25(4)24-15)23-18(26)22-13-5-6-17(21-12-13)27-14-7-9-20-10-8-14/h5-6,11-12,14,20H,7-10H2,1-4H3,(H2,22,23,26)
InChIKeyWTWIQZXUTRTPEU-UHFFFAOYSA-N
XLogP2.89
TPSA93.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[4-(piperazin-1-ylmethyl)phenyl]urea
CID 59420865
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea
CID 68625607
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyphenyl]urea
CID 69111200
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
CID 2811926
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[3-chloro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 118489452
1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 130424613
N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 119389510
N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119305621
1-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[4-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]oxyphenyl]urea
CID 11721010
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(4-tert-butylphenyl)urea
CID 74924556
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea
CID 74924575

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea (CID 68624286) is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea is Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC2CCNCC2)nc1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea?
The InChIKey is WTWIQZXUTRTPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-19(2,3)15-11-16(25(4)24-15)23-18(26)22-13-5-6-17(21-12-13)27-14-7-9-20-10-8-14/h5-6,11-12,14,20H,7-10H2,1-4H3,(H2,22,23,26).
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea?
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea has a molecular weight of 372.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(6-piperidin-4-yloxy-3-pyridinyl)urea is sourced from PubChem (CID 68624286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).