6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide

C26H27ClN4O3 — CID 155167368

IUPAC6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C26H27ClN4O3/c27-19-7-8-23-21(10-19)22(32)11-24(34-23)26(33)29-14-20-16-31-15-18(6-9-25(31)30-20)13-28-12-17-4-2-1-3-5-17/h6-11,15-17,28H,1-5,12-14H2,(H,29,33)
InChIKeyBECHPEQBUPRLAS-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.69
Rot. Bonds7

About 6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide

6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide (PubChem CID 155167368) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide
PubChem CID155167368
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C26H27ClN4O3/c27-19-7-8-23-21(10-19)22(32)11-24(34-23)26(33)29-14-20-16-31-15-18(6-9-25(31)30-20)13-28-12-17-4-2-1-3-5-17/h6-11,15-17,28H,1-5,12-14H2,(H,29,33)
InChIKeyBECHPEQBUPRLAS-UHFFFAOYSA-N
XLogP4.69
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide (CID 155167368) is 6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide is O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide?
The InChIKey is BECHPEQBUPRLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c27-19-7-8-23-21(10-19)22(32)11-24(34-23)26(33)29-14-20-16-31-15-18(6-9-25(31)30-20)13-28-12-17-4-2-1-3-5-17/h6-11,15-17,28H,1-5,12-14H2,(H,29,33).
What are the key properties of 6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide?
6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 155167368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).