(1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone

C21H33N5O — CID 139451499

IUPAC(1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCNCCN(C)Cc1nn2c(c1C1=CCN(C(=O)C3(C)CC3)CC1)CCC2
InChIInChI=1S/C21H33N5O/c1-21(8-9-21)20(27)25-12-6-16(7-13-25)19-17(15-24(3)14-10-22-2)23-26-11-4-5-18(19)26/h6,22H,4-5,7-15H2,1-3H3
InChIKeyWSTCRSPZADYGOF-UHFFFAOYSA-N
MW371.53 g/mol
LogP1.90
Rot. Bonds7

About (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone

(1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 139451499) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID139451499
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name(1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCNCCN(C)Cc1nn2c(c1C1=CCN(C(=O)C3(C)CC3)CC1)CCC2
InChIInChI=1S/C21H33N5O/c1-21(8-9-21)20(27)25-12-6-16(7-13-25)19-17(15-24(3)14-10-22-2)23-26-11-4-5-18(19)26/h6,22H,4-5,7-15H2,1-3H3
InChIKeyWSTCRSPZADYGOF-UHFFFAOYSA-N
XLogP1.90
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Related Compounds

US11028083, Example 14
CID 139451364
US11028083, Example 55
CID 139451453
US11028083, Example 54
CID 139451558
US11028083, Example 77a
CID 139456542
N-{(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]tetrahydro-1H-pyrrol-3-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 91910931
N-{1-Benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-YL}-3-(3,5-dimethyl-1H-pyrazol-1-YL)propanamide
CID 91922835
(4S)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 42392224
(4R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 42392226
4-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-1-[2-(4-fluorophenyl)ethyl]-2-pyrrolidinone
CID 45242093
(3R)-3-amino-1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 56656060
3-methyl-1-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-N-propylpyrrolidine-3-carboxamide
CID 132469535
2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide
CID 91098815

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 139451499) is (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone is CNCCN(C)Cc1nn2c(c1C1=CCN(C(=O)C3(C)CC3)CC1)CCC2.
What is the InChIKey of (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is WSTCRSPZADYGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-21(8-9-21)20(27)25-12-6-16(7-13-25)19-17(15-24(3)14-10-22-2)23-26-11-4-5-18(19)26/h6,22H,4-5,7-15H2,1-3H3.
What are the key properties of (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
(1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 371.53 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 139451499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).