9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate

C46H47N5O5 — CID 156828779

About 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate

9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate (PubChem CID 156828779) has the molecular formula C46H47N5O5 and a molecular weight of 749.91 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
• PubChem CID: 156828779
• Molecular Formula: C46H47N5O5
• Molecular Weight: 749.91 g/mol
• Exact Mass: 749.36
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
• SMILES: COc1cc(C(=O)N2CC3CCC2[C@@H]3NC(=O)OCC2c3ccccc3-c3ccccc32)cn2nc(-c3cc4ccc(C(C)(C)O)cc4n3CC3CC3)c(C)c12
• InChI: InChI=1S/C46H47N5O5/c1-26-41(39-19-28-15-17-31(46(2,3)54)21-38(28)49(39)22-27-13-14-27)48-51-24-30(20-40(55-4)43(26)51)44(52)50-23-29-16-18-37(50)42(29)47-45(53)56-25-36-34-11-7-5-9-32(34)33-10-6-8-12-35(33)36/h5-12,15,17,19-21,24,27,29,36-37,42,54H,13-14,16,18,22-23,25H2,1-4H3,(H,47,53)/t29?,37?,42-/m1/s1
• InChIKey: FKPGDOMUWSPLKZ-MJEHBVRDSA-N
• XLogP: 8.05
• TPSA: 110.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.91
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate (CID 156828779) is 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate is COc1cc(C(=O)N2CC3CCC2[C@@H]3NC(=O)OCC2c3ccccc3-c3ccccc32)cn2nc(-c3cc4ccc(C(C)(C)O)cc4n3CC3CC3)c(C)c12.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?

The InChIKey is FKPGDOMUWSPLKZ-MJEHBVRDSA-N. The full InChI is InChI=1S/C46H47N5O5/c1-26-41(39-19-28-15-17-31(46(2,3)54)21-38(28)49(39)22-27-13-14-27)48-51-24-30(20-40(55-4)43(26)51)44(52)50-23-29-16-18-37(50)42(29)47-45(53)56-25-36-34-11-7-5-9-32(34)33-10-6-8-12-35(33)36/h5-12,15,17,19-21,24,27,29,36-37,42,54H,13-14,16,18,22-23,25H2,1-4H3,(H,47,53)/t29?,37?,42-/m1/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?

9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate has a molecular weight of 749.91 g/mol, XLogP of 8.05, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate is sourced from PubChem (CID 156828779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).