N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine

C19H28N6O — CID 155530983

IUPACN-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
SMILESCOCCN1CCC(Nc2nccc(-c3cnn4c3CCCC4)n2)CC1
InChIInChI=1S/C19H28N6O/c1-26-13-12-24-10-6-15(7-11-24)22-19-20-8-5-17(23-19)16-14-21-25-9-3-2-4-18(16)25/h5,8,14-15H,2-4,6-7,9-13H2,1H3,(H,20,22,23)
InChIKeyAKRNKIGWLAVTLG-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.20
Rot. Bonds6

About N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine

N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 155530983) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
PubChem CID155530983
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
SMILESCOCCN1CCC(Nc2nccc(-c3cnn4c3CCCC4)n2)CC1
InChIInChI=1S/C19H28N6O/c1-26-13-12-24-10-6-15(7-11-24)22-19-20-8-5-17(23-19)16-14-21-25-9-3-2-4-18(16)25/h5,8,14-15H,2-4,6-7,9-13H2,1H3,(H,20,22,23)
InChIKeyAKRNKIGWLAVTLG-UHFFFAOYSA-N
XLogP2.20
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine (CID 155530983) is N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine is COCCN1CCC(Nc2nccc(-c3cnn4c3CCCC4)n2)CC1.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is AKRNKIGWLAVTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-26-13-12-24-10-6-15(7-11-24)22-19-20-8-5-17(23-19)16-14-21-25-9-3-2-4-18(16)25/h5,8,14-15H,2-4,6-7,9-13H2,1H3,(H,20,22,23).
What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine?
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 356.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 155530983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).