4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine

C25H29N5O2 — CID 91203188

IUPAC4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine
SMILESCOCCN1CCC(c2nc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)[nH]2)CC1
InChIInChI=1S/C25H29N5O2/c1-32-15-14-30-12-8-18(9-13-30)25-27-23(17-6-10-26-11-7-17)24(28-25)20-2-4-21-19(16-20)3-5-22(21)29-31/h2,4,6-7,10-11,16,18,22H,3,5,8-9,12-15H2,1H3,(H,27,28)
InChIKeyLKKMVUNOHJNJPK-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.72
Rot. Bonds7

About 4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine

4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine (PubChem CID 91203188) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine
PubChem CID91203188
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine
SMILESCOCCN1CCC(c2nc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)[nH]2)CC1
InChIInChI=1S/C25H29N5O2/c1-32-15-14-30-12-8-18(9-13-30)25-27-23(17-6-10-26-11-7-17)24(28-25)20-2-4-21-19(16-20)3-5-22(21)29-31/h2,4,6-7,10-11,16,18,22H,3,5,8-9,12-15H2,1H3,(H,27,28)
InChIKeyLKKMVUNOHJNJPK-UHFFFAOYSA-N
XLogP4.72
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 70998364
2-chloro-5-[2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
CID 44535397
N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 44535248
2-[3-[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidin-1-yl]propyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 18704744
4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine
CID 91403356
trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol
CID 91896026
N-[2-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-5-[(Z)-3-(propylideneamino)prop-2-enyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 142129347
2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 95122553
2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 95122554
N-[[5-[(1E)-1-iodoimino-2,3-dihydroinden-5-yl]-4-pyridin-4-ylfuran-2-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
CID 142219234
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 44535692
2-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881616

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine (CID 91203188) is 4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine is COCCN1CCC(c2nc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)[nH]2)CC1.
What is the InChIKey of 4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine?
The InChIKey is LKKMVUNOHJNJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-32-15-14-30-12-8-18(9-13-30)25-27-23(17-6-10-26-11-7-17)24(28-25)20-2-4-21-19(16-20)3-5-22(21)29-31/h2,4,6-7,10-11,16,18,22H,3,5,8-9,12-15H2,1H3,(H,27,28).
What are the key properties of 4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine?
4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine has a molecular weight of 431.54 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 91203188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).