1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine

C29H37N5O2 — CID 58018346

IUPAC1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(Cc4cccn5ccnc45)CC3)noc12
InChIInChI=1S/C29H37N5O2/c1-32(2)19-25-27(35-20-22-5-6-22)10-8-24-26(31-36-28(24)25)9-7-21-11-15-33(16-12-21)18-23-4-3-14-34-17-13-30-29(23)34/h3-4,8,10,13-14,17,21-22H,5-7,9,11-12,15-16,18-20H2,1-2H3
InChIKeyHITWQRFHIFCKQE-UHFFFAOYSA-N
MW487.65 g/mol
LogP5.17
Rot. Bonds10

About 1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine

1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (PubChem CID 58018346) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
PubChem CID58018346
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(Cc4cccn5ccnc45)CC3)noc12
InChIInChI=1S/C29H37N5O2/c1-32(2)19-25-27(35-20-22-5-6-22)10-8-24-26(31-36-28(24)25)9-7-21-11-15-33(16-12-21)18-23-4-3-14-34-17-13-30-29(23)34/h3-4,8,10,13-14,17,21-22H,5-7,9,11-12,15-16,18-20H2,1-2H3
InChIKeyHITWQRFHIFCKQE-UHFFFAOYSA-N
XLogP5.17
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (CID 58018346) is 1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(Cc4cccn5ccnc45)CC3)noc12.
What is the InChIKey of 1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The InChIKey is HITWQRFHIFCKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-32(2)19-25-27(35-20-22-5-6-22)10-8-24-26(31-36-28(24)25)9-7-21-11-15-33(16-12-21)18-23-4-3-14-34-17-13-30-29(23)34/h3-4,8,10,13-14,17,21-22H,5-7,9,11-12,15-16,18-20H2,1-2H3.
What are the key properties of 1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine has a molecular weight of 487.65 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylmethoxy)-3-[2-[1-(imidazo[1,2-a]pyridin-8-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58018346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).