formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate

C42H44N10O6 — CID 143630830

About formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate

formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate (PubChem CID 143630830) has the molecular formula C42H44N10O6 and a molecular weight of 784.88 g/mol. Its IUPAC name is formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

• Compound Name: formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate
• PubChem CID: 143630830
• Molecular Formula: C42H44N10O6
• Molecular Weight: 784.88 g/mol
• Exact Mass: 784.34
• IUPAC Name: formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate
• SMILES: COC(=O)N[C@@H](C(=O)N[C@@H](C)c1ncc(-c2cnc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)C(OC)c5ccccc5)[nH]4)cc3)nc2)[nH]1)c1ccccc1.NC=O
• InChI: InChI=1S/C41H41N9O5.CH3NO/c1-25(46-39(51)34(49-41(53)55-3)27-11-6-4-7-12-27)36-44-24-32(47-36)30-21-42-37(43-22-30)29-18-16-26(17-19-29)31-23-45-38(48-31)33-15-10-20-50(33)40(52)35(54-2)28-13-8-5-9-14-28;2-1-3/h4-9,11-14,16-19,21-25,33-35H,10,15,20H2,1-3H3,(H,44,47)(H,45,48)(H,46,51)(H,49,53);1H,(H2,2,3)/t25-,33-,34+,35?;/m0./s1
• InChIKey: HDVYVOSQNNJTBH-UBSDQTSUSA-N
• XLogP: 5.35
• TPSA: 223.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.88
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate?

The IUPAC name of formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate (CID 143630830) is formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate.

What is the SMILES notation for formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate?

The canonical SMILES for formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate is COC(=O)N[C@@H](C(=O)N[C@@H](C)c1ncc(-c2cnc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)C(OC)c5ccccc5)[nH]4)cc3)nc2)[nH]1)c1ccccc1.NC=O.

What is the InChIKey of formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate?

The InChIKey is HDVYVOSQNNJTBH-UBSDQTSUSA-N. The full InChI is InChI=1S/C41H41N9O5.CH3NO/c1-25(46-39(51)34(49-41(53)55-3)27-11-6-4-7-12-27)36-44-24-32(47-36)30-21-42-37(43-22-30)29-18-16-26(17-19-29)31-23-45-38(48-31)33-15-10-20-50(33)40(52)35(54-2)28-13-8-5-9-14-28;2-1-3/h4-9,11-14,16-19,21-25,33-35H,10,15,20H2,1-3H3,(H,44,47)(H,45,48)(H,46,51)(H,49,53);1H,(H2,2,3)/t25-,33-,34+,35?;/m0./s1.

What are the key properties of formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate?

formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 784.88 g/mol, XLogP of 5.35, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for formamide;methyl N-[(1R)-2-[[(1S)-1-[5-[2-[4-[2-[(2S)-1-(2-methoxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 143630830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).