5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18FN7O2 — CID 137449866

About 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449866) has the molecular formula C18H18FN7O2 and a molecular weight of 383.39 g/mol. Its IUPAC name is 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449866
• Molecular Formula: C18H18FN7O2
• Molecular Weight: 383.39 g/mol
• Exact Mass: 383.15
• IUPAC Name: 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2ccc3c(n2)CCO3)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C18H18FN7O2/c1-20-16-7-15(24-14-3-2-13-11(22-14)4-5-28-13)25-17-9(8-21-26(16)17)18(27)23-12-6-10(12)19/h2-3,7-8,10,12,20H,4-6H2,1H3,(H,23,27)(H,22,24,25)/t10-,12+/m1/s1
• InChIKey: VLFHQBHDIXIKDJ-PWSUYJOCSA-N
• XLogP: 1.68
• TPSA: 105.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.39
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449866) is 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2ccc3c(n2)CCO3)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.

What is the InChIKey of 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VLFHQBHDIXIKDJ-PWSUYJOCSA-N. The full InChI is InChI=1S/C18H18FN7O2/c1-20-16-7-15(24-14-3-2-13-11(22-14)4-5-28-13)25-17-9(8-21-26(16)17)18(27)23-12-6-10(12)19/h2-3,7-8,10,12,20H,4-6H2,1H3,(H,23,27)(H,22,24,25)/t10-,12+/m1/s1.

What are the key properties of 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydrofuro[3,2-b]pyridin-5-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).