1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine

C26H36F2N4O2 — CID 77337589

IUPAC1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine
SMILESCOCC(C)NC1CCC(Nc2cc(-c3cc(NCC4(OC)CC4)ccc3F)c(F)cn2)CC1
InChIInChI=1S/C26H36F2N4O2/c1-17(15-33-2)31-18-4-6-19(7-5-18)32-25-13-22(24(28)14-29-25)21-12-20(8-9-23(21)27)30-16-26(34-3)10-11-26/h8-9,12-14,17-19,30-31H,4-7,10-11,15-16H2,1-3H3,(H,29,32)
InChIKeyJKZAEUBROFHQPK-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.97
Rot. Bonds11

About 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine

1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine (PubChem CID 77337589) has the molecular formula C26H36F2N4O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine
PubChem CID77337589
Molecular FormulaC26H36F2N4O2
Molecular Weight474.60 g/mol
Exact Mass474.28
IUPAC Name1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine
SMILESCOCC(C)NC1CCC(Nc2cc(-c3cc(NCC4(OC)CC4)ccc3F)c(F)cn2)CC1
InChIInChI=1S/C26H36F2N4O2/c1-17(15-33-2)31-18-4-6-19(7-5-18)32-25-13-22(24(28)14-29-25)21-12-20(8-9-23(21)27)30-16-26(34-3)10-11-26/h8-9,12-14,17-19,30-31H,4-7,10-11,15-16H2,1-3H3,(H,29,32)
InChIKeyJKZAEUBROFHQPK-UHFFFAOYSA-N
XLogP4.97
TPSA67.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-N-[5-fluoro-4-[2-fluoro-5-[(4-methoxyoxan-4-yl)methylamino]phenyl]-2-pyridinyl]-4-N-[(2R)-1-methoxypropan-2-yl]cyclohexane-1,4-diamine
CID 67691970
1-N-[5-fluoro-4-[2-fluoro-5-[(1-fluorocyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine
CID 77337420
1-N-[5-fluoro-4-[2-fluoro-5-[(1-fluorocyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-[(2S)-1-methoxypropan-2-yl]cyclohexane-1,4-diamine
CID 67692039
1-N-[5-fluoro-4-[3-[(1-fluorocyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine
CID 77337390
1-[[3-[5-fluoro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]amino]-4-pyridinyl]anilino]methyl]cyclopropan-1-ol
CID 67691985
1-[[4-fluoro-3-[5-fluoro-2-[[4-(2-methoxyethylamino)cyclohexyl]amino]-4-pyridinyl]anilino]methyl]cyclopropane-1-carbonitrile
CID 67693269
1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile
CID 123968270
1-N-[5-fluoro-4-[6-fluoro-5-[(4-methyloxan-4-yl)methylamino]-3-pyridinyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine
CID 77329055
1-N-[5-chloro-4-[4-[(1-methylcyclopropyl)methylamino]-2-pyridinyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine
CID 123585656
4-N-[5-fluoro-4-[3-[(4-methoxyoxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 67692090
1-[[3-[5-chloro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]anilino]methyl]cyclopropane-1-carbonitrile
CID 77337821
1-N-[5-chloro-4-[6-fluoro-5-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-2-pyridinyl]-4-N-[(2R)-1-methoxypropan-2-yl]cyclohexane-1,4-diamine
CID 67644348

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine (CID 77337589) is 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine is COCC(C)NC1CCC(Nc2cc(-c3cc(NCC4(OC)CC4)ccc3F)c(F)cn2)CC1.
What is the InChIKey of 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine?
The InChIKey is JKZAEUBROFHQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F2N4O2/c1-17(15-33-2)31-18-4-6-19(7-5-18)32-25-13-22(24(28)14-29-25)21-12-20(8-9-23(21)27)30-16-26(34-3)10-11-26/h8-9,12-14,17-19,30-31H,4-7,10-11,15-16H2,1-3H3,(H,29,32).
What are the key properties of 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine?
1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine has a molecular weight of 474.60 g/mol, XLogP of 4.97, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-fluoro-4-[2-fluoro-5-[(1-methoxycyclopropyl)methylamino]phenyl]-2-pyridinyl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 77337589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).