[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone

C28H37N5O2 — CID 59103723

IUPAC[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)[C@@H]2CC2c2ccccc2)CC1
InChIInChI=1S/C28H37N5O2/c1-4-35-17-24-31-25-26(18(2)19(3)30-27(25)29)33(24)15-12-20-10-13-32(14-11-20)28(34)23-16-22(23)21-8-6-5-7-9-21/h5-9,20,22-23H,4,10-17H2,1-3H3,(H2,29,30)/t22?,23-/m1/s1
InChIKeyPSTJNHGZCMMIRE-OZAIVSQSSA-N
MW475.64 g/mol
LogP4.60
Rot. Bonds8

About [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone

[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone (PubChem CID 59103723) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone
PubChem CID59103723
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)[C@@H]2CC2c2ccccc2)CC1
InChIInChI=1S/C28H37N5O2/c1-4-35-17-24-31-25-26(18(2)19(3)30-27(25)29)33(24)15-12-20-10-13-32(14-11-20)28(34)23-16-22(23)21-8-6-5-7-9-21/h5-9,20,22-23H,4,10-17H2,1-3H3,(H2,29,30)/t22?,23-/m1/s1
InChIKeyPSTJNHGZCMMIRE-OZAIVSQSSA-N
XLogP4.60
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone with MolForge

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Related Compounds

4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]-N-phenylpiperidine-1-carbothioamide
CID 22729728
1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 10150797
[4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 20795125
1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 22729795
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69192555
1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 22397364
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 22135717
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone?
The IUPAC name of [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone (CID 59103723) is [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone.
What is the SMILES notation for [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone?
The canonical SMILES for [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone is CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)[C@@H]2CC2c2ccccc2)CC1.
What is the InChIKey of [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone?
The InChIKey is PSTJNHGZCMMIRE-OZAIVSQSSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-4-35-17-24-31-25-26(18(2)19(3)30-27(25)29)33(24)15-12-20-10-13-32(14-11-20)28(34)23-16-22(23)21-8-6-5-7-9-21/h5-9,20,22-23H,4,10-17H2,1-3H3,(H2,29,30)/t22?,23-/m1/s1.
What are the key properties of [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone?
[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone has a molecular weight of 475.64 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-[(1R)-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 59103723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).