cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21N7O3 — CID 142523870

About cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142523870) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 142523870
• Molecular Formula: C18H21N7O3
• Molecular Weight: 383.41 g/mol
• Exact Mass: 383.17
• IUPAC Name: cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C1CC1.CNc1cc(Nc2ccc3c(n2)OCCO3)nc2c(C(N)=O)cnn12
• InChI: InChI=1S/C15H15N7O3.C3H6/c1-17-12-6-11(20-14-8(13(16)23)7-18-22(12)14)19-10-3-2-9-15(21-10)25-5-4-24-9;1-2-3-1/h2-3,6-7,17H,4-5H2,1H3,(H2,16,23)(H,19,20,21);1-3H2
• InChIKey: KCGPEOVHEVNAFY-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 128.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.41
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142523870) is cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is C1CC1.CNc1cc(Nc2ccc3c(n2)OCCO3)nc2c(C(N)=O)cnn12.

What is the InChIKey of cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KCGPEOVHEVNAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3.C3H6/c1-17-12-6-11(20-14-8(13(16)23)7-18-22(12)14)19-10-3-2-9-15(21-10)25-5-4-24-9;1-2-3-1/h2-3,6-7,17H,4-5H2,1H3,(H2,16,23)(H,19,20,21);1-3H2.

What are the key properties of cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142523870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).