benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine

C63H66N12O4 — CID 163654743

About benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine

benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine (PubChem CID 163654743) has the molecular formula C63H66N12O4 and a molecular weight of 1055.30 g/mol. Its IUPAC name is benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine.

Molecular Properties

• Compound Name: benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine
• PubChem CID: 163654743
• Molecular Formula: C63H66N12O4
• Molecular Weight: 1055.30 g/mol
• Exact Mass: 1054.53
• IUPAC Name: benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine
• SMILES: C1COCCN1.CC(=O)c1ccc(-c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccn2)cc1.O=C(c1ccc(-c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccn2)cc1)N1CCOCC1.c1ccccc1
• InChI: InChI=1S/C28H28N6O2.C25H23N5O.C6H6.C4H9NO/c35-28(32-14-16-36-17-15-32)20-5-3-19(4-6-20)24-18-21(9-11-29-24)27-26(30-25-2-1-12-33(25)27)23-10-13-34(31-23)22-7-8-22;1-16(31)17-4-6-18(7-5-17)22-15-19(10-12-26-22)25-24(27-23-3-2-13-29(23)25)21-11-14-30(28-21)20-8-9-20;1-2-4-6-5-3-1;1-3-6-4-2-5-1/h3-6,9-11,13,18,22H,1-2,7-8,12,14-17H2;4-7,10-12,14-15,20H,2-3,8-9,13H2,1H3;1-6H;5H,1-4H2
• InChIKey: IPFKULPMMJPDDN-UHFFFAOYSA-N
• XLogP: 10.48
• TPSA: 164.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.30
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine?

The IUPAC name of benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine (CID 163654743) is benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine.

What is the SMILES notation for benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine?

The canonical SMILES for benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine is C1COCCN1.CC(=O)c1ccc(-c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccn2)cc1.O=C(c1ccc(-c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccn2)cc1)N1CCOCC1.c1ccccc1.

What is the InChIKey of benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine?

The InChIKey is IPFKULPMMJPDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2.C25H23N5O.C6H6.C4H9NO/c35-28(32-14-16-36-17-15-32)20-5-3-19(4-6-20)24-18-21(9-11-29-24)27-26(30-25-2-1-12-33(25)27)23-10-13-34(31-23)22-7-8-22;1-16(31)17-4-6-18(7-5-17)22-15-19(10-12-26-22)25-24(27-23-3-2-13-29(23)25)21-11-14-30(28-21)20-8-9-20;1-2-4-6-5-3-1;1-3-6-4-2-5-1/h3-6,9-11,13,18,22H,1-2,7-8,12,14-17H2;4-7,10-12,14-15,20H,2-3,8-9,13H2,1H3;1-6H;5H,1-4H2.

What are the key properties of benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine?

benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine has a molecular weight of 1055.30 g/mol, XLogP of 10.48, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1-[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]ethanone;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;morpholine is sourced from PubChem (CID 163654743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).