(2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide

C23H24N8O2 — CID 167432221

IUPAC(2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
SMILESCO[C@@H](C(=O)Nc1ccc(N[C@@H]2CCN(c3cc4cc[nH]c4nn3)C2)nn1)c1ccccc1
InChIInChI=1S/C23H24N8O2/c1-33-21(15-5-3-2-4-6-15)23(32)26-19-8-7-18(27-28-19)25-17-10-12-31(14-17)20-13-16-9-11-24-22(16)30-29-20/h2-9,11,13,17,21H,10,12,14H2,1H3,(H,24,30)(H,25,27)(H,26,28,32)/t17-,21-/m1/s1
InChIKeyDJTXLZMEGAFAPM-DYESRHJHSA-N
MW444.50 g/mol
LogP2.76
Rot. Bonds7

About (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide

(2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide (PubChem CID 167432221) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
PubChem CID167432221
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name(2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
SMILESCO[C@@H](C(=O)Nc1ccc(N[C@@H]2CCN(c3cc4cc[nH]c4nn3)C2)nn1)c1ccccc1
InChIInChI=1S/C23H24N8O2/c1-33-21(15-5-3-2-4-6-15)23(32)26-19-8-7-18(27-28-19)25-17-10-12-31(14-17)20-13-16-9-11-24-22(16)30-29-20/h2-9,11,13,17,21H,10,12,14H2,1H3,(H,24,30)(H,25,27)(H,26,28,32)/t17-,21-/m1/s1
InChIKeyDJTXLZMEGAFAPM-DYESRHJHSA-N
XLogP2.76
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide with MolForge

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Related Compounds

N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide
CID 175425619
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
CID 129161539
N-[6-[[1-[6-(3,3-difluorocyclobutyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 175425652
(2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 129161544
(2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 129161600
2-methoxy-2-phenyl-N-[5-[[1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 123401266
2-(3,5-dimethoxyphenyl)-2-methoxy-N-[5-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 129199691
2-(3,5-dimethoxyphenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 154584195
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[[(3R)-1-(1,2,4-triazin-6-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 130203440
carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+)
CID 163729378
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
CID 159689976
N-[5-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]oxy-1,3,4-thiadiazol-2-yl]-2-methoxy-2-phenylacetamide
CID 172589687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
The IUPAC name of (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide (CID 167432221) is (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide.
What is the SMILES notation for (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
The canonical SMILES for (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide is CO[C@@H](C(=O)Nc1ccc(N[C@@H]2CCN(c3cc4cc[nH]c4nn3)C2)nn1)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
The InChIKey is DJTXLZMEGAFAPM-DYESRHJHSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-33-21(15-5-3-2-4-6-15)23(32)26-19-8-7-18(27-28-19)25-17-10-12-31(14-17)20-13-16-9-11-24-22(16)30-29-20/h2-9,11,13,17,21H,10,12,14H2,1H3,(H,24,30)(H,25,27)(H,26,28,32)/t17-,21-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
(2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide has a molecular weight of 444.50 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide is sourced from PubChem (CID 167432221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).