1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen

C19H25N7 — CID 144956285

IUPAC1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen
SMILESCC.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1.[H][H]
InChIInChI=1S/C17H17N7.C2H6.H2/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15;1-2;/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22);1-2H3;1H
InChIKeyLUKZDTWQWIYWHI-UHFFFAOYSA-N
MW351.46 g/mol
LogP4.34
Rot. Bonds2

About 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen

1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen (PubChem CID 144956285) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen.

Molecular Properties

Compound Name1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen
PubChem CID144956285
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen
SMILESCC.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1.[H][H]
InChIInChI=1S/C17H17N7.C2H6.H2/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15;1-2;/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22);1-2H3;1H
InChIKeyLUKZDTWQWIYWHI-UHFFFAOYSA-N
XLogP4.34
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-2-[(3R)-3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-3-cyclopropylprop-2-enenitrile
CID 155521857
1-(1,3-dioxolan-2-ylmethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 127046600
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
1-(2,2-dimethoxyethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 127046078
3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypropanamide
CID 164627087
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide
CID 164622255
1-cyclopentyl-3-(4-ethoxy-3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905296
3-(6-methoxy-3-pyridinyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 71514262
3-(4-methoxyphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 71514022
3-(4-amino-3-fluorophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386267
1-cyclohexyl-3-[4-(2,6-difluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 155003485

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen?
The IUPAC name of 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen (CID 144956285) is 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen.
What is the SMILES notation for 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen?
The canonical SMILES for 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen is CC.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1.[H][H].
What is the InChIKey of 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen?
The InChIKey is LUKZDTWQWIYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7.C2H6.H2/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15;1-2;/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22);1-2H3;1H.
What are the key properties of 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen?
1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen has a molecular weight of 351.46 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;ethane;molecular hydrogen is sourced from PubChem (CID 144956285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).