(5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium

C20H28N7O+ — CID 177318062

IUPAC(5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium
SMILESCN1CCN(c2cc([NH2+]c3cnc(C4CC4)cn3)nc(N3CC(O)C3)c2)CC1
InChIInChI=1S/C20H27N7O/c1-25-4-6-26(7-5-25)15-8-18(24-20(9-15)27-12-16(28)13-27)23-19-11-21-17(10-22-19)14-2-3-14/h8-11,14,16,28H,2-7,12-13H2,1H3,(H,22,23,24)/p+1
InChIKeyHKVSPSBNZOZIBB-UHFFFAOYSA-O
MW382.49 g/mol
LogP0.21
Rot. Bonds5

About (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium

(5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium (PubChem CID 177318062) has the molecular formula C20H28N7O+ and a molecular weight of 382.49 g/mol. Its IUPAC name is (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium.

Molecular Properties

Compound Name(5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium
PubChem CID177318062
Molecular FormulaC20H28N7O+
Molecular Weight382.49 g/mol
Exact Mass382.23
IUPAC Name(5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium
SMILESCN1CCN(c2cc([NH2+]c3cnc(C4CC4)cn3)nc(N3CC(O)C3)c2)CC1
InChIInChI=1S/C20H27N7O/c1-25-4-6-26(7-5-25)15-8-18(24-20(9-15)27-12-16(28)13-27)23-19-11-21-17(10-22-19)14-2-3-14/h8-11,14,16,28H,2-7,12-13H2,1H3,(H,22,23,24)/p+1
InChIKeyHKVSPSBNZOZIBB-UHFFFAOYSA-O
XLogP0.21
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium with MolForge

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Related Compounds

1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol
CID 177317932
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
4-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 56868687
4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine
CID 53233904
5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid
CID 123578184
6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 39347700
[3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 127249016
1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol
CID 91779555
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 171350063
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
CID 177317959
2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80955969

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium?
The IUPAC name of (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium (CID 177318062) is (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium.
What is the SMILES notation for (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium?
The canonical SMILES for (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium is CN1CCN(c2cc([NH2+]c3cnc(C4CC4)cn3)nc(N3CC(O)C3)c2)CC1.
What is the InChIKey of (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium?
The InChIKey is HKVSPSBNZOZIBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N7O/c1-25-4-6-26(7-5-25)15-8-18(24-20(9-15)27-12-16(28)13-27)23-19-11-21-17(10-22-19)14-2-3-14/h8-11,14,16,28H,2-7,12-13H2,1H3,(H,22,23,24)/p+1.
What are the key properties of (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium?
(5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium has a molecular weight of 382.49 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropylpyrazin-2-yl)-[6-(3-hydroxyazetidin-1-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]azanium is sourced from PubChem (CID 177318062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).