5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H25N7O3 — CID 137441584

IUPAC5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)NCCC3CCCO3)cnn12
InChIInChI=1S/C20H25N7O3/c1-21-17-11-16(25-15-6-3-8-23-20(15)29-2)26-18-14(12-24-27(17)18)19(28)22-9-7-13-5-4-10-30-13/h3,6,8,11-13,21H,4-5,7,9-10H2,1-2H3,(H,22,28)(H,25,26)
InChIKeyQXNCOUOFEZZNDY-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.22
Rot. Bonds8

About 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441584) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441584
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Name5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)NCCC3CCCO3)cnn12
InChIInChI=1S/C20H25N7O3/c1-21-17-11-16(25-15-6-3-8-23-20(15)29-2)26-18-14(12-24-27(17)18)19(28)22-9-7-13-5-4-10-30-13/h3,6,8,11-13,21H,4-5,7,9-10H2,1-2H3,(H,22,28)(H,25,26)
InChIKeyQXNCOUOFEZZNDY-UHFFFAOYSA-N
XLogP2.22
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441584) is 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NCCC3CCCO3)cnn12.
What is the InChIKey of 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QXNCOUOFEZZNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-21-17-11-16(25-15-6-3-8-23-20(15)29-2)26-18-14(12-24-27(17)18)19(28)22-9-7-13-5-4-10-30-13/h3,6,8,11-13,21H,4-5,7,9-10H2,1-2H3,(H,22,28)(H,25,26).
What are the key properties of 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).