1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea

C27H28ClN5O2 — CID 74767463

IUPAC1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(-c3ccccc3)nc3c(Cl)cccn23)[C@H](c2ccccc2)C1
InChIInChI=1S/C27H28ClN5O2/c1-35-16-15-32-17-21(19-9-4-2-5-10-19)23(18-32)29-27(34)31-26-24(20-11-6-3-7-12-20)30-25-22(28)13-8-14-33(25)26/h2-14,21,23H,15-18H2,1H3,(H2,29,31,34)/t21-,23+/m0/s1
InChIKeyUYXSQFYUIGPCIM-JTHBVZDNSA-N
MW490.01 g/mol
LogP4.89
Rot. Bonds7

About 1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea

1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea (PubChem CID 74767463) has the molecular formula C27H28ClN5O2 and a molecular weight of 490.01 g/mol. Its IUPAC name is 1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
PubChem CID74767463
Molecular FormulaC27H28ClN5O2
Molecular Weight490.01 g/mol
Exact Mass489.19
IUPAC Name1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(-c3ccccc3)nc3c(Cl)cccn23)[C@H](c2ccccc2)C1
InChIInChI=1S/C27H28ClN5O2/c1-35-16-15-32-17-21(19-9-4-2-5-10-19)23(18-32)29-27(34)31-26-24(20-11-6-3-7-12-20)30-25-22(28)13-8-14-33(25)26/h2-14,21,23H,15-18H2,1H3,(H2,29,31,34)/t21-,23+/m0/s1
InChIKeyUYXSQFYUIGPCIM-JTHBVZDNSA-N
XLogP4.89
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea (CID 74767463) is 1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea is COCCN1C[C@@H](NC(=O)Nc2c(-c3ccccc3)nc3c(Cl)cccn23)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The InChIKey is UYXSQFYUIGPCIM-JTHBVZDNSA-N. The full InChI is InChI=1S/C27H28ClN5O2/c1-35-16-15-32-17-21(19-9-4-2-5-10-19)23(18-32)29-27(34)31-26-24(20-11-6-3-7-12-20)30-25-22(28)13-8-14-33(25)26/h2-14,21,23H,15-18H2,1H3,(H2,29,31,34)/t21-,23+/m0/s1.
What are the key properties of 1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea has a molecular weight of 490.01 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 74767463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).