5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21N9O3 — CID 137449126

IUPAC5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cnc(C(C)(C)O)cn3)c2=O)nc2c(C(N)=O)cnn12
InChIInChI=1S/C20H21N9O3/c1-20(2,32)13-9-24-16(10-23-13)28-6-4-5-12(19(28)31)26-14-7-15(22-3)29-18(27-14)11(8-25-29)17(21)30/h4-10,22,32H,1-3H3,(H2,21,30)(H,26,27)
InChIKeyUNRIUXVHUARLKY-UHFFFAOYSA-N
MW435.45 g/mol
LogP0.78
Rot. Bonds6

About 5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449126) has the molecular formula C20H21N9O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449126
Molecular FormulaC20H21N9O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cnc(C(C)(C)O)cn3)c2=O)nc2c(C(N)=O)cnn12
InChIInChI=1S/C20H21N9O3/c1-20(2,32)13-9-24-16(10-23-13)28-6-4-5-12(19(28)31)26-14-7-15(22-3)29-18(27-14)11(8-25-29)17(21)30/h4-10,22,32H,1-3H3,(H2,21,30)(H,26,27)
InChIKeyUNRIUXVHUARLKY-UHFFFAOYSA-N
XLogP0.78
TPSA165.35 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449126) is 5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cnc(C(C)(C)O)cn3)c2=O)nc2c(C(N)=O)cnn12.
What is the InChIKey of 5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UNRIUXVHUARLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O3/c1-20(2,32)13-9-24-16(10-23-13)28-6-4-5-12(19(28)31)26-14-7-15(22-3)29-18(27-14)11(8-25-29)17(21)30/h4-10,22,32H,1-3H3,(H2,21,30)(H,26,27).
What are the key properties of 5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 0.78, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).