N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27N7O2 — CID 137450408

IUPACN-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(C3CCCCO3)n2)nc2c(C(=O)N(C)C3CC3)cnn12
InChIInChI=1S/C22H27N7O2/c1-23-20-12-19(26-18-8-5-6-16(25-18)17-7-3-4-11-31-17)27-21-15(13-24-29(20)21)22(30)28(2)14-9-10-14/h5-6,8,12-14,17,23H,3-4,7,9-11H2,1-2H3,(H,25,26,27)
InChIKeyYLQAMTVZPQGHAU-UHFFFAOYSA-N
MW421.51 g/mol
LogP3.39
Rot. Bonds6

About N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450408) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450408
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC NameN-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(C3CCCCO3)n2)nc2c(C(=O)N(C)C3CC3)cnn12
InChIInChI=1S/C22H27N7O2/c1-23-20-12-19(26-18-8-5-6-16(25-18)17-7-3-4-11-31-17)27-21-15(13-24-29(20)21)22(30)28(2)14-9-10-14/h5-6,8,12-14,17,23H,3-4,7,9-11H2,1-2H3,(H,25,26,27)
InChIKeyYLQAMTVZPQGHAU-UHFFFAOYSA-N
XLogP3.39
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450408) is N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc(C3CCCCO3)n2)nc2c(C(=O)N(C)C3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YLQAMTVZPQGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-23-20-12-19(26-18-8-5-6-16(25-18)17-7-3-4-11-31-17)27-21-15(13-24-29(20)21)22(30)28(2)14-9-10-14/h5-6,8,12-14,17,23H,3-4,7,9-11H2,1-2H3,(H,25,26,27).
What are the key properties of N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).