2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine

C50H63N13O3 — CID 123728825

IUPAC2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine
SMILESCC(C)Oc1ccc(N)c(NC(C)c2cccc(-c3cc(OC4CCCC4)nc(NC(C)c4cccc(-c5cc(OC6CCN(C)CC6)nc(NC(C)c6ccccn6)c5N)n4)c3N)n2)n1
InChIInChI=1S/C50H63N13O3/c1-29(2)64-43-21-20-37(51)48(60-43)55-31(4)39-16-11-18-41(58-39)35-27-44(65-33-13-7-8-14-33)61-50(47(35)53)57-32(5)40-17-12-19-42(59-40)36-28-45(66-34-22-25-63(6)26-23-34)62-49(46(36)52)56-30(3)38-15-9-10-24-54-38/h9-12,15-21,24,27-34H,7-8,13-14,22-23,25-26,51-53H2,1-6H3,(H,55,60)(H,56,62)(H,57,61)
InChIKeyYFOGUFDRZINXBX-UHFFFAOYSA-N
MW894.14 g/mol
LogP9.24
Rot. Bonds17

About 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine

2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine (PubChem CID 123728825) has the molecular formula C50H63N13O3 and a molecular weight of 894.14 g/mol. Its IUPAC name is 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine
PubChem CID123728825
Molecular FormulaC50H63N13O3
Molecular Weight894.14 g/mol
Exact Mass893.52
IUPAC Name2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine
SMILESCC(C)Oc1ccc(N)c(NC(C)c2cccc(-c3cc(OC4CCCC4)nc(NC(C)c4cccc(-c5cc(OC6CCN(C)CC6)nc(NC(C)c6ccccn6)c5N)n4)c3N)n2)n1
InChIInChI=1S/C50H63N13O3/c1-29(2)64-43-21-20-37(51)48(60-43)55-31(4)39-16-11-18-41(58-39)35-27-44(65-33-13-7-8-14-33)61-50(47(35)53)57-32(5)40-17-12-19-42(59-40)36-28-45(66-34-22-25-63(6)26-23-34)62-49(46(36)52)56-30(3)38-15-9-10-24-54-38/h9-12,15-21,24,27-34H,7-8,13-14,22-23,25-26,51-53H2,1-6H3,(H,55,60)(H,56,62)(H,57,61)
InChIKeyYFOGUFDRZINXBX-UHFFFAOYSA-N
XLogP9.24
TPSA222.42 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500894.14
LogP ≤ 59.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
4-(5-(3,6-Dihydro-2H-pyran-4-YL)-2-(6-methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 49785436
5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53322731
5-(6-(6-(1-Methylpiperidin-4-yloxy)pyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53324329
5-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-N-(6-methoxypyridin-3-YL)-6'-methyl-3,3'-bipyridin-6-amine
CID 59548274
N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyridin-2-amine
CID 66556032
N,N-dimethyl-5-(5-{[(3R)-3-piperidinylmethyl]oxy}pyrido[3,4-b]pyrazin-7-yl)-2-pyridinamine
CID 66556365

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine?
The IUPAC name of 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine (CID 123728825) is 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine?
The canonical SMILES for 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine is CC(C)Oc1ccc(N)c(NC(C)c2cccc(-c3cc(OC4CCCC4)nc(NC(C)c4cccc(-c5cc(OC6CCN(C)CC6)nc(NC(C)c6ccccn6)c5N)n4)c3N)n2)n1.
What is the InChIKey of 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine?
The InChIKey is YFOGUFDRZINXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H63N13O3/c1-29(2)64-43-21-20-37(51)48(60-43)55-31(4)39-16-11-18-41(58-39)35-27-44(65-33-13-7-8-14-33)61-50(47(35)53)57-32(5)40-17-12-19-42(59-40)36-28-45(66-34-22-25-63(6)26-23-34)62-49(46(36)52)56-30(3)38-15-9-10-24-54-38/h9-12,15-21,24,27-34H,7-8,13-14,22-23,25-26,51-53H2,1-6H3,(H,55,60)(H,56,62)(H,57,61).
What are the key properties of 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine?
2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine has a molecular weight of 894.14 g/mol, XLogP of 9.24, 17 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[6-[3-amino-6-(1-methylpiperidin-4-yl)oxy-2-(1-pyridin-2-ylethylamino)-4-pyridinyl]-2-pyridinyl]ethyl]-4-[6-[1-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]ethyl]-2-pyridinyl]-6-cyclopentyloxypyridine-2,3-diamine is sourced from PubChem (CID 123728825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).