7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H27N7O3 — CID 16743447

IUPAC7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C20H27N7O3/c1-11-6-15(23-10-20(2,3)22)27-19(24-11)16(17(21)28)18(26-27)25-12-7-13(29-4)9-14(8-12)30-5/h6-9,23H,10,22H2,1-5H3,(H2,21,28)(H,25,26)
InChIKeyBMQFLKKGNQVSNN-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.05
Rot. Bonds8

About 7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16743447) has the molecular formula C20H27N7O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16743447
Molecular FormulaC20H27N7O3
Molecular Weight413.48 g/mol
Exact Mass413.22
IUPAC Name7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C20H27N7O3/c1-11-6-15(23-10-20(2,3)22)27-19(24-11)16(17(21)28)18(26-27)25-12-7-13(29-4)9-14(8-12)30-5/h6-9,23H,10,22H2,1-5H3,(H2,21,28)(H,25,26)
InChIKeyBMQFLKKGNQVSNN-UHFFFAOYSA-N
XLogP2.05
TPSA141.82 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16743447) is 7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BMQFLKKGNQVSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3/c1-11-6-15(23-10-20(2,3)22)27-19(24-11)16(17(21)28)18(26-27)25-12-7-13(29-4)9-14(8-12)30-5/h6-9,23H,10,22H2,1-5H3,(H2,21,28)(H,25,26).
What are the key properties of 7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 2.05, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16743447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).