4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide

C23H29N9O2 — CID 57335388

IUPAC4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide
SMILESCC(C)(C)c1cnnc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)c1
InChIInChI=1S/C23H29N9O2/c1-23(2,3)16-13-19(30-27-14-16)29-22(33)32-11-9-31(10-12-32)20-18(5-4-7-25-20)34-15-17-6-8-26-21(24)28-17/h4-8,13-14H,9-12,15H2,1-3H3,(H2,24,26,28)(H,29,30,33)
InChIKeyKCXZDBWTNVTOFH-UHFFFAOYSA-N
MW463.55 g/mol
LogP2.47
Rot. Bonds5

About 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide

4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 57335388) has the molecular formula C23H29N9O2 and a molecular weight of 463.55 g/mol. Its IUPAC name is 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide
PubChem CID57335388
Molecular FormulaC23H29N9O2
Molecular Weight463.55 g/mol
Exact Mass463.24
IUPAC Name4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide
SMILESCC(C)(C)c1cnnc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)c1
InChIInChI=1S/C23H29N9O2/c1-23(2,3)16-13-19(30-27-14-16)29-22(33)32-11-9-31(10-12-32)20-18(5-4-7-25-20)34-15-17-6-8-26-21(24)28-17/h4-8,13-14H,9-12,15H2,1-3H3,(H2,24,26,28)(H,29,30,33)
InChIKeyKCXZDBWTNVTOFH-UHFFFAOYSA-N
XLogP2.47
TPSA135.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazine-1-carboxamide
CID 57335957
4-[3-[2-(2-aminopyrimidin-4-yl)ethyl]-2-pyridinyl]-N-(3-tert-butylphenyl)piperazine-1-carboxamide
CID 67511128
4-[3-[(2-aminopyrimidin-4-yl)methoxy]-6-chloro-2-pyridinyl]-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 59013781
4-[4-[(2-aminopyrimidin-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]-N-[3-ethyl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 59013787
4-[[2-[4-[3-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]piperazin-1-yl]-3-pyridinyl]oxymethyl]pyrimidin-2-amine
CID 123504128
4-[(3E,5Z)-3-[(2-aminopyrimidin-4-yl)methoxy]hepta-1,3,5-trien-2-yl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 88565061
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide
CID 10438402
ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 86809385
N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11639257
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide (CID 57335388) is 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide is CC(C)(C)c1cnnc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)c1.
What is the InChIKey of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is KCXZDBWTNVTOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O2/c1-23(2,3)16-13-19(30-27-14-16)29-22(33)32-11-9-31(10-12-32)20-18(5-4-7-25-20)34-15-17-6-8-26-21(24)28-17/h4-8,13-14H,9-12,15H2,1-3H3,(H2,24,26,28)(H,29,30,33).
What are the key properties of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide?
4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-(5-tert-butylpyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 57335388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).