5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H30FN7O4 — CID 139425730

About 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139425730) has the molecular formula C24H30FN7O4 and a molecular weight of 499.55 g/mol. Its IUPAC name is 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 139425730
• Molecular Formula: C24H30FN7O4
• Molecular Weight: 499.55 g/mol
• Exact Mass: 499.23
• IUPAC Name: 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(NC2=CC=CN(C3CCC4(CC3)OCCO4)C2O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
• InChI: InChI=1S/C24H30FN7O4/c1-26-20-12-19(30-21-15(13-27-32(20)21)22(33)29-18-11-16(18)25)28-17-3-2-8-31(23(17)34)14-4-6-24(7-5-14)35-9-10-36-24/h2-3,8,12-14,16,18,23,26,34H,4-7,9-11H2,1H3,(H,28,30)(H,29,33)/t16-,18+,23?/m0/s1
• InChIKey: UVKUXBKSJQRBMZ-LRUZPBGCSA-N
• XLogP: 1.74
• TPSA: 125.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.55
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139425730) is 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(NC2=CC=CN(C3CCC4(CC3)OCCO4)C2O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.

What is the InChIKey of 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UVKUXBKSJQRBMZ-LRUZPBGCSA-N. The full InChI is InChI=1S/C24H30FN7O4/c1-26-20-12-19(30-21-15(13-27-32(20)21)22(33)29-18-11-16(18)25)28-17-3-2-8-31(23(17)34)14-4-6-24(7-5-14)35-9-10-36-24/h2-3,8,12-14,16,18,23,26,34H,4-7,9-11H2,1H3,(H,28,30)(H,29,33)/t16-,18+,23?/m0/s1.

What are the key properties of 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 499.55 g/mol, XLogP of 1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxy-2H-pyridin-3-yl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139425730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).