1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C20H23F6N5O5 — CID 155824303

About 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)

1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155824303) has the molecular formula C20H23F6N5O5 and a molecular weight of 527.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155824303
• Molecular Formula: C20H23F6N5O5
• Molecular Weight: 527.42 g/mol
• Exact Mass: 527.16
• IUPAC Name: 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCC1CN(c2ncccn2)Cc2c1cnn2CC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H21N5O.2C2HF3O2/c1-22-11-13-9-20(16-17-5-2-6-18-16)10-15-14(13)7-19-21(15)8-12-3-4-12;2*3-2(4,5)1(6)7/h2,5-7,12-13H,3-4,8-11H2,1H3;2*(H,6,7)
• InChIKey: MIHRWBQCDKPYFO-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 130.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.42
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 155824303) is 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is COCC1CN(c2ncccn2)Cc2c1cnn2CC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is MIHRWBQCDKPYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2C2HF3O2/c1-22-11-13-9-20(16-17-5-2-6-18-16)10-15-14(13)7-19-21(15)8-12-3-4-12;2*3-2(4,5)1(6)7/h2,5-7,12-13H,3-4,8-11H2,1H3;2*(H,6,7).

What are the key properties of 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 527.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155824303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).