1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea

C20H26N6O2 — CID 137053856

IUPAC1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
SMILESCC(C)(C)NC(=O)Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C20H26N6O2/c1-20(2,3)24-19(28)22-13-5-4-6-14-17(13)18-23-16(27)11-15(26(18)25-14)12-7-9-21-10-8-12/h4-6,11-12,21H,7-10H2,1-3H3,(H,23,27)(H2,22,24,28)
InChIKeyWRZBPUKPBFGUPK-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.56
Rot. Bonds2

About 1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea

1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea (PubChem CID 137053856) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
PubChem CID137053856
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
SMILESCC(C)(C)NC(=O)Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C20H26N6O2/c1-20(2,3)24-19(28)22-13-5-4-6-14-17(13)18-23-16(27)11-15(26(18)25-14)12-7-9-21-10-8-12/h4-6,11-12,21H,7-10H2,1-3H3,(H,23,27)(H2,22,24,28)
InChIKeyWRZBPUKPBFGUPK-UHFFFAOYSA-N
XLogP2.56
TPSA103.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea?
The IUPAC name of 1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea (CID 137053856) is 1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea is CC(C)(C)NC(=O)Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.
What is the InChIKey of 1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea?
The InChIKey is WRZBPUKPBFGUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-20(2,3)24-19(28)22-13-5-4-6-14-17(13)18-23-16(27)11-15(26(18)25-14)12-7-9-21-10-8-12/h4-6,11-12,21H,7-10H2,1-3H3,(H,23,27)(H2,22,24,28).
What are the key properties of 1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea?
1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea has a molecular weight of 382.47 g/mol, XLogP of 2.56, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea is sourced from PubChem (CID 137053856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).