N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide

C63H67F2N13O6 — CID 167232833

IUPACN-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide
SMILESCOc1cc(-c2cc(Nc3ccc(N4CCN(CC5CCCC(C(=O)Nc6ccc(-c7cc(Nc8ccc(N9[C@H](C)COC[C@H]9C)cn8)c8c(=O)[nH]ccc8n7)c(F)c6)C5)CC4)cn3)c3c(=O)[nH]ccc3n2)c(F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C63H67F2N13O6/c1-37-35-84-36-38(2)78(37)43-12-15-57(69-33-43)73-53-30-51(71-49-16-18-66-61(80)58(49)53)44-13-10-41(27-47(44)64)70-60(79)40-9-7-8-39(26-40)34-75-22-24-76(25-23-75)42-11-14-56(68-32-42)74-54-31-52(72-50-17-19-67-62(81)59(50)54)45-29-55(83-3)46(28-48(45)65)63(82)77-20-5-4-6-21-77/h10-19,27-33,37-40H,4-9,20-26,34-36H2,1-3H3,(H,66,80)(H,67,81)(H,70,79)(H,68,72,74)(H,69,71,73)/t37-,38-,39?,40?/m1/s1
InChIKeyWCVWCKHSUADRJG-SZKSMXDYSA-N
MW1140.31 g/mol
LogP9.86
Rot. Bonds14

About N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide

N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 167232833) has the molecular formula C63H67F2N13O6 and a molecular weight of 1140.31 g/mol. Its IUPAC name is N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide
PubChem CID167232833
Molecular FormulaC63H67F2N13O6
Molecular Weight1140.31 g/mol
Exact Mass1139.53
IUPAC NameN-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide
SMILESCOc1cc(-c2cc(Nc3ccc(N4CCN(CC5CCCC(C(=O)Nc6ccc(-c7cc(Nc8ccc(N9[C@H](C)COC[C@H]9C)cn8)c8c(=O)[nH]ccc8n7)c(F)c6)C5)CC4)cn3)c3c(=O)[nH]ccc3n2)c(F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C63H67F2N13O6/c1-37-35-84-36-38(2)78(37)43-12-15-57(69-33-43)73-53-30-51(71-49-16-18-66-61(80)58(49)53)44-13-10-41(27-47(44)64)70-60(79)40-9-7-8-39(26-40)34-75-22-24-76(25-23-75)42-11-14-56(68-32-42)74-54-31-52(72-50-17-19-67-62(81)59(50)54)45-29-55(83-3)46(28-48(45)65)63(82)77-20-5-4-6-21-77/h10-19,27-33,37-40H,4-9,20-26,34-36H2,1-3H3,(H,66,80)(H,67,81)(H,70,79)(H,68,72,74)(H,69,71,73)/t37-,38-,39?,40?/m1/s1
InChIKeyWCVWCKHSUADRJG-SZKSMXDYSA-N
XLogP9.86
TPSA218.93 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001140.31
LogP ≤ 59.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide (CID 167232833) is N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide is COc1cc(-c2cc(Nc3ccc(N4CCN(CC5CCCC(C(=O)Nc6ccc(-c7cc(Nc8ccc(N9[C@H](C)COC[C@H]9C)cn8)c8c(=O)[nH]ccc8n7)c(F)c6)C5)CC4)cn3)c3c(=O)[nH]ccc3n2)c(F)cc1C(=O)N1CCCCC1.
What is the InChIKey of N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is WCVWCKHSUADRJG-SZKSMXDYSA-N. The full InChI is InChI=1S/C63H67F2N13O6/c1-37-35-84-36-38(2)78(37)43-12-15-57(69-33-43)73-53-30-51(71-49-16-18-66-61(80)58(49)53)44-13-10-41(27-47(44)64)70-60(79)40-9-7-8-39(26-40)34-75-22-24-76(25-23-75)42-11-14-56(68-32-42)74-54-31-52(72-50-17-19-67-62(81)59(50)54)45-29-55(83-3)46(28-48(45)65)63(82)77-20-5-4-6-21-77/h10-19,27-33,37-40H,4-9,20-26,34-36H2,1-3H3,(H,66,80)(H,67,81)(H,70,79)(H,68,72,74)(H,69,71,73)/t37-,38-,39?,40?/m1/s1.
What are the key properties of N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide?
N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 1140.31 g/mol, XLogP of 9.86, 14 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]-3-[[4-[6-[[2-[2-fluoro-5-methoxy-4-(piperidine-1-carbonyl)phenyl]-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167232833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).