N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25FN8O3 — CID 137450129

About N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450129) has the molecular formula C22H25FN8O3 and a molecular weight of 468.49 g/mol. Its IUPAC name is N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137450129
• Molecular Formula: C22H25FN8O3
• Molecular Weight: 468.49 g/mol
• Exact Mass: 468.20
• IUPAC Name: N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ncccc1Nc1cc(NCCN2CCOCC2)n2ncc(C(=O)N[C@H]3C=C3F)c2n1
• InChI: InChI=1S/C22H25FN8O3/c1-33-22-16(3-2-4-25-22)27-18-12-19(24-5-6-30-7-9-34-10-8-30)31-20(29-18)14(13-26-31)21(32)28-17-11-15(17)23/h2-4,11-13,17,24H,5-10H2,1H3,(H,27,29)(H,28,32)/t17-/m0/s1
• InChIKey: AEEDBKBUUIPYKC-KRWDZBQOSA-N
• XLogP: 1.59
• TPSA: 117.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.49
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450129) is N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncccc1Nc1cc(NCCN2CCOCC2)n2ncc(C(=O)N[C@H]3C=C3F)c2n1.

What is the InChIKey of N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AEEDBKBUUIPYKC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25FN8O3/c1-33-22-16(3-2-4-25-22)27-18-12-19(24-5-6-30-7-9-34-10-8-30)31-20(29-18)14(13-26-31)21(32)28-17-11-15(17)23/h2-4,11-13,17,24H,5-10H2,1H3,(H,27,29)(H,28,32)/t17-/m0/s1.

What are the key properties of N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 468.49 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-fluorocycloprop-2-en-1-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).