10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

C20H20F2N6O — CID 137066360

IUPAC10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cccc(NC4NC=C(F)C=C4F)c3c2[nH]1
InChIInChI=1S/C20H20F2N6O/c21-12-8-13(22)19(24-10-12)25-14-2-1-3-15-18(14)20-26-17(29)9-16(28(20)27-15)11-4-6-23-7-5-11/h1-3,8-11,19,23-25H,4-7H2,(H,26,29)
InChIKeyWLRUUFSCEGEAOG-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.65
Rot. Bonds3

About 10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 137066360) has the molecular formula C20H20F2N6O and a molecular weight of 398.42 g/mol. Its IUPAC name is 10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID137066360
Molecular FormulaC20H20F2N6O
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cccc(NC4NC=C(F)C=C4F)c3c2[nH]1
InChIInChI=1S/C20H20F2N6O/c21-12-8-13(22)19(24-10-12)25-14-2-1-3-15-18(14)20-26-17(29)9-16(28(20)27-15)11-4-6-23-7-5-11/h1-3,8-11,19,23-25H,4-7H2,(H,26,29)
InChIKeyWLRUUFSCEGEAOG-UHFFFAOYSA-N
XLogP2.65
TPSA86.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (CID 137066360) is 10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3cccc(NC4NC=C(F)C=C4F)c3c2[nH]1.
What is the InChIKey of 10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is WLRUUFSCEGEAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O/c21-12-8-13(22)19(24-10-12)25-14-2-1-3-15-18(14)20-26-17(29)9-16(28(20)27-15)11-4-6-23-7-5-11/h1-3,8-11,19,23-25H,4-7H2,(H,26,29).
What are the key properties of 10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 398.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 137066360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).