1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone

C21H25N9O — CID 158480683

About 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone

1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone (PubChem CID 158480683) has the molecular formula C21H25N9O and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone.

Molecular Properties

• Compound Name: 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone
• PubChem CID: 158480683
• Molecular Formula: C21H25N9O
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.22
• IUPAC Name: 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone
• SMILES: O=C(Cc1ncn[nH]1)C1CCCN1c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2
• InChI: InChI=1S/C21H25N9O/c31-17(10-18-22-11-23-28-18)16-5-2-8-30(16)21-24-14-4-1-3-13(14)20(26-21)25-19-9-15(27-29-19)12-6-7-12/h9,11-12,16H,1-8,10H2,(H,22,23,28)(H2,24,25,26,27,29)
• InChIKey: HHMFXVLUJFKIIX-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 128.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone?

The IUPAC name of 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone (CID 158480683) is 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone.

What is the SMILES notation for 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone?

The canonical SMILES for 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone is O=C(Cc1ncn[nH]1)C1CCCN1c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2.

What is the InChIKey of 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone?

The InChIKey is HHMFXVLUJFKIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O/c31-17(10-18-22-11-23-28-18)16-5-2-8-30(16)21-24-14-4-1-3-13(14)20(26-21)25-19-9-15(27-29-19)12-6-7-12/h9,11-12,16H,1-8,10H2,(H,22,23,28)(H2,24,25,26,27,29).

What are the key properties of 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone?

1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone has a molecular weight of 419.49 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone is sourced from PubChem (CID 158480683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).