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

C16H18N6O2 — CID 137053939

IUPAC(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
SMILESNC(=O)Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C16H18N6O2/c17-16(24)19-10-2-1-3-11-14(10)15-20-13(23)8-12(22(15)21-11)9-4-6-18-7-5-9/h1-3,8-9,18H,4-7H2,(H,20,23)(H3,17,19,24)
InChIKeyBPVZYXACKFJIPK-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.13
Rot. Bonds2

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

(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea (PubChem CID 137053939) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea.

Molecular Properties

Compound Name(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
PubChem CID137053939
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
SMILESNC(=O)Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C16H18N6O2/c17-16(24)19-10-2-1-3-11-14(10)15-20-13(23)8-12(22(15)21-11)9-4-6-18-7-5-9/h1-3,8-9,18H,4-7H2,(H,20,23)(H3,17,19,24)
InChIKeyBPVZYXACKFJIPK-UHFFFAOYSA-N
XLogP1.13
TPSA117.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea?
The IUPAC name of (2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea (CID 137053939) is (2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea.
What is the SMILES notation for (2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea?
The canonical SMILES for (2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea is NC(=O)Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.
What is the InChIKey of (2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea?
The InChIKey is BPVZYXACKFJIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c17-16(24)19-10-2-1-3-11-14(10)15-20-13(23)8-12(22(15)21-11)9-4-6-18-7-5-9/h1-3,8-9,18H,4-7H2,(H,20,23)(H3,17,19,24).
What are the key properties of (2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea?
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea has a molecular weight of 326.36 g/mol, XLogP of 1.13, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea is sourced from PubChem (CID 137053939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).