N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine

C39H40N18 — CID 143460590

IUPACN-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
SMILES[H]/N=C1\CCN(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)cc(Cn3cc(-c4cnc5c(Nc6ccnc(N7CCC(N)CC7)c6)nccn45)cn3)n2)C1
InChIInChI=1S/C39H40N18/c1-52-21-25(17-47-52)32-19-45-39-37(44-8-12-56(32)39)51-30-14-31(49-35(16-30)54-11-5-28(41)23-54)24-55-22-26(18-48-55)33-20-46-38-36(43-7-13-57(33)38)50-29-2-6-42-34(15-29)53-9-3-27(40)4-10-53/h2,6-8,12-22,27,41H,3-5,9-11,23-24,40H2,1H3,(H,42,43,50)(H,44,49,51)/b41-28+
InChIKeyUEOGQSWXUWPRCT-SISPBFPDSA-N
MW760.88 g/mol
LogP4.52
Rot. Bonds10

About N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine

N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143460590) has the molecular formula C39H40N18 and a molecular weight of 760.88 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID143460590
Molecular FormulaC39H40N18
Molecular Weight760.88 g/mol
Exact Mass760.37
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
SMILES[H]/N=C1\CCN(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)cc(Cn3cc(-c4cnc5c(Nc6ccnc(N7CCC(N)CC7)c6)nccn45)cn3)n2)C1
InChIInChI=1S/C39H40N18/c1-52-21-25(17-47-52)32-19-45-39-37(44-8-12-56(32)39)51-30-14-31(49-35(16-30)54-11-5-28(41)23-54)24-55-22-26(18-48-55)33-20-46-38-36(43-7-13-57(33)38)50-29-2-6-42-34(15-29)53-9-3-27(40)4-10-53/h2,6-8,12-22,27,41H,3-5,9-11,23-24,40H2,1H3,(H,42,43,50)(H,44,49,51)/b41-28+
InChIKeyUEOGQSWXUWPRCT-SISPBFPDSA-N
XLogP4.52
TPSA202.21 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.88
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine (CID 143460590) is N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine is [H]/N=C1\CCN(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)cc(Cn3cc(-c4cnc5c(Nc6ccnc(N7CCC(N)CC7)c6)nccn45)cn3)n2)C1.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is UEOGQSWXUWPRCT-SISPBFPDSA-N. The full InChI is InChI=1S/C39H40N18/c1-52-21-25(17-47-52)32-19-45-39-37(44-8-12-56(32)39)51-30-14-31(49-35(16-30)54-11-5-28(41)23-54)24-55-22-26(18-48-55)33-20-46-38-36(43-7-13-57(33)38)50-29-2-6-42-34(15-29)53-9-3-27(40)4-10-53/h2,6-8,12-22,27,41H,3-5,9-11,23-24,40H2,1H3,(H,42,43,50)(H,44,49,51)/b41-28+.
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine?
N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 760.88 g/mol, XLogP of 4.52, 10 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143460590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).