N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine

C26H29FN8 — CID 134440508

About N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine

N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine (PubChem CID 134440508) has the molecular formula C26H29FN8 and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine
• PubChem CID: 134440508
• Molecular Formula: C26H29FN8
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.25
• IUPAC Name: N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine
• SMILES: CCCN1Cc2cnn(-c3cc(Nc4c(C)c(-c5ccc(F)cc5)nn4CC4CC4)ncn3)c2C1
• InChI: InChI=1S/C26H29FN8/c1-3-10-33-14-20-12-30-35(22(20)15-33)24-11-23(28-16-29-24)31-26-17(2)25(19-6-8-21(27)9-7-19)32-34(26)13-18-4-5-18/h6-9,11-12,16,18H,3-5,10,13-15H2,1-2H3,(H,28,29,31)
• InChIKey: XMTXPEHPESTBDG-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 76.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine?

The IUPAC name of N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine (CID 134440508) is N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine.

What is the SMILES notation for N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine?

The canonical SMILES for N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine is CCCN1Cc2cnn(-c3cc(Nc4c(C)c(-c5ccc(F)cc5)nn4CC4CC4)ncn3)c2C1.

What is the InChIKey of N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine?

The InChIKey is XMTXPEHPESTBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8/c1-3-10-33-14-20-12-30-35(22(20)15-33)24-11-23(28-16-29-24)31-26-17(2)25(19-6-8-21(27)9-7-19)32-34(26)13-18-4-5-18/h6-9,11-12,16,18H,3-5,10,13-15H2,1-2H3,(H,28,29,31).

What are the key properties of N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine?

N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 472.57 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(5-propyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 134440508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).