10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

C20H18FN5O2 — CID 137053799

IUPAC10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cccc(-n4cccc(F)c4=O)c3c2[nH]1
InChIInChI=1S/C20H18FN5O2/c21-13-3-2-10-25(20(13)28)15-5-1-4-14-18(15)19-23-17(27)11-16(26(19)24-14)12-6-8-22-9-7-12/h1-5,10-12,22H,6-9H2,(H,23,27)
InChIKeyNRLKLNWYVSFBAP-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.93
Rot. Bonds2

About 10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 137053799) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID137053799
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cccc(-n4cccc(F)c4=O)c3c2[nH]1
InChIInChI=1S/C20H18FN5O2/c21-13-3-2-10-25(20(13)28)15-5-1-4-14-18(15)19-23-17(27)11-16(26(19)24-14)12-6-8-22-9-7-12/h1-5,10-12,22H,6-9H2,(H,23,27)
InChIKeyNRLKLNWYVSFBAP-UHFFFAOYSA-N
XLogP1.93
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (CID 137053799) is 10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3cccc(-n4cccc(F)c4=O)c3c2[nH]1.
What is the InChIKey of 10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is NRLKLNWYVSFBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-13-3-2-10-25(20(13)28)15-5-1-4-14-18(15)19-23-17(27)11-16(26(19)24-14)12-6-8-22-9-7-12/h1-5,10-12,22H,6-9H2,(H,23,27).
What are the key properties of 10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 379.40 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 137053799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).