N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C23H30FN7O — CID 170351703

About N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170351703) has the molecular formula C23H30FN7O and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• PubChem CID: 170351703
• Molecular Formula: C23H30FN7O
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.25
• IUPAC Name: N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• SMILES: CC(=O)Nc1cc2c(cn1)c(N1CC[C@@H](NC(C)C)C1)nn2-c1cccc(C(C)(C)F)n1
• InChI: InChI=1S/C23H30FN7O/c1-14(2)26-16-9-10-30(13-16)22-17-12-25-20(27-15(3)32)11-18(17)31(29-22)21-8-6-7-19(28-21)23(4,5)24/h6-8,11-12,14,16,26H,9-10,13H2,1-5H3,(H,25,27,32)/t16-/m1/s1
• InChIKey: QJORUYAVWWICKU-MRXNPFEDSA-N
• XLogP: 3.56
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The IUPAC name of N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170351703) is N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

What is the SMILES notation for N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The canonical SMILES for N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(N1CC[C@@H](NC(C)C)C1)nn2-c1cccc(C(C)(C)F)n1.

What is the InChIKey of N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The InChIKey is QJORUYAVWWICKU-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H30FN7O/c1-14(2)26-16-9-10-30(13-16)22-17-12-25-20(27-15(3)32)11-18(17)31(29-22)21-8-6-7-19(28-21)23(4,5)24/h6-8,11-12,14,16,26H,9-10,13H2,1-5H3,(H,25,27,32)/t16-/m1/s1.

What are the key properties of N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170351703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).