4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine

C28H30FN7O — CID 177311289

IUPAC4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine
SMILESNC1=C(c2ccc(F)c3[nH]ncc23)c2cc(N3CCC(N4CCOCC4)CC3)c3cccnc3c2NC1
InChIInChI=1S/C28H30FN7O/c29-22-4-3-18(21-15-33-34-26(21)22)25-20-14-24(19-2-1-7-31-27(19)28(20)32-16-23(25)30)36-8-5-17(6-9-36)35-10-12-37-13-11-35/h1-4,7,14-15,17,32H,5-6,8-13,16,30H2,(H,33,34)
InChIKeyJEGAIIQPJFANEO-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.69
Rot. Bonds3

About 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine

4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine (PubChem CID 177311289) has the molecular formula C28H30FN7O and a molecular weight of 499.59 g/mol. Its IUPAC name is 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine.

Molecular Properties

Compound Name4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine
PubChem CID177311289
Molecular FormulaC28H30FN7O
Molecular Weight499.59 g/mol
Exact Mass499.25
IUPAC Name4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine
SMILESNC1=C(c2ccc(F)c3[nH]ncc23)c2cc(N3CCC(N4CCOCC4)CC3)c3cccnc3c2NC1
InChIInChI=1S/C28H30FN7O/c29-22-4-3-18(21-15-33-34-26(21)22)25-20-14-24(19-2-1-7-31-27(19)28(20)32-16-23(25)30)36-8-5-17(6-9-36)35-10-12-37-13-11-35/h1-4,7,14-15,17,32H,5-6,8-13,16,30H2,(H,33,34)
InChIKeyJEGAIIQPJFANEO-UHFFFAOYSA-N
XLogP3.69
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)quinoxalin-5-yl)benzyl)morpholine
CID 46398810
4-[[2,6-Difluoro-4-[3-(1-piperidin-1-ium-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholin-4-ium
CID 72200117
4-[1-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[4,5-c]quinolin-8-yl]morpholine
CID 137646031
4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-9-yl]morpholine
CID 142445847
4-[5-(1H-indazol-3-yl)-3-pyridinyl]morpholine
CID 137646685
NVP-BSK805 2HCl
CID 57339395
5-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 153521563
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]-pyridin-1-yl)-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline
CID 50939732
US10131663, Example 2
CID 134453459
8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine
CID 134497839
8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine
CID 134497961
3-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-1-methylpyrazol-4-amine
CID 146676600

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine?
The IUPAC name of 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine (CID 177311289) is 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine.
What is the SMILES notation for 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine?
The canonical SMILES for 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine is NC1=C(c2ccc(F)c3[nH]ncc23)c2cc(N3CCC(N4CCOCC4)CC3)c3cccnc3c2NC1.
What is the InChIKey of 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine?
The InChIKey is JEGAIIQPJFANEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O/c29-22-4-3-18(21-15-33-34-26(21)22)25-20-14-24(19-2-1-7-31-27(19)28(20)32-16-23(25)30)36-8-5-17(6-9-36)35-10-12-37-13-11-35/h1-4,7,14-15,17,32H,5-6,8-13,16,30H2,(H,33,34).
What are the key properties of 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine?
4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine has a molecular weight of 499.59 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,10-phenanthrolin-3-amine is sourced from PubChem (CID 177311289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).