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

C21H26N8 — CID 155518861

IUPACN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3nccc(-c4cnn5c4CCCC5)n3)nc2)CC1
InChIInChI=1S/C21H26N8/c1-27-10-12-28(13-11-27)16-5-6-20(23-14-16)26-21-22-8-7-18(25-21)17-15-24-29-9-3-2-4-19(17)29/h5-8,14-15H,2-4,9-13H2,1H3,(H,22,23,25,26)
InChIKeyPDAGDCQXFVQYJZ-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.57
Rot. Bonds4

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

N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 155518861) has the molecular formula C21H26N8 and a molecular weight of 390.50 g/mol. Its IUPAC name is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
PubChem CID155518861
Molecular FormulaC21H26N8
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3nccc(-c4cnn5c4CCCC5)n3)nc2)CC1
InChIInChI=1S/C21H26N8/c1-27-10-12-28(13-11-27)16-5-6-20(23-14-16)26-21-22-8-7-18(25-21)17-15-24-29-9-3-2-4-19(17)29/h5-8,14-15H,2-4,9-13H2,1H3,(H,22,23,25,26)
InChIKeyPDAGDCQXFVQYJZ-UHFFFAOYSA-N
XLogP2.57
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine (CID 155518861) is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine is CN1CCN(c2ccc(Nc3nccc(-c4cnn5c4CCCC5)n3)nc2)CC1.
What is the InChIKey of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is PDAGDCQXFVQYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8/c1-27-10-12-28(13-11-27)16-5-6-20(23-14-16)26-21-22-8-7-18(25-21)17-15-24-29-9-3-2-4-19(17)29/h5-8,14-15H,2-4,9-13H2,1H3,(H,22,23,25,26).
What are the key properties of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine?
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 390.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 155518861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).