6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H21N5O — CID 136698036

IUPAC6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CN(C3CC3)[C@H]3CCc4ccccc43)nc21
InChIInChI=1S/C19H21N5O/c1-23-18-15(10-20-23)19(25)22-17(21-18)11-24(13-7-8-13)16-9-6-12-4-2-3-5-14(12)16/h2-5,10,13,16H,6-9,11H2,1H3,(H,21,22,25)/t16-/m0/s1
InChIKeyPHFKMKPPYKKQEU-INIZCTEOSA-N
MW335.41 g/mol
LogP2.31
Rot. Bonds4

About 6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136698036) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136698036
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CN(C3CC3)[C@H]3CCc4ccccc43)nc21
InChIInChI=1S/C19H21N5O/c1-23-18-15(10-20-23)19(25)22-17(21-18)11-24(13-7-8-13)16-9-6-12-4-2-3-5-14(12)16/h2-5,10,13,16H,6-9,11H2,1H3,(H,21,22,25)/t16-/m0/s1
InChIKeyPHFKMKPPYKKQEU-INIZCTEOSA-N
XLogP2.31
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136698036) is 6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(CN(C3CC3)[C@H]3CCc4ccccc43)nc21.
What is the InChIKey of 6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PHFKMKPPYKKQEU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-18-15(10-20-23)19(25)22-17(21-18)11-24(13-7-8-13)16-9-6-12-4-2-3-5-14(12)16/h2-5,10,13,16H,6-9,11H2,1H3,(H,21,22,25)/t16-/m0/s1.
What are the key properties of 6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 335.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136698036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).