4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H21ClN8O — CID 160896682

IUPAC4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)Oc1cc2c(cc1Nc1ncnc3[nH]ccc13)C=NC2.Clc1ncnc2[nH]ccc12
InChIInChI=1S/C17H17N5O.C6H4ClN3/c1-10(2)23-15-6-12-8-18-7-11(12)5-14(15)22-17-13-3-4-19-16(13)20-9-21-17;7-5-4-1-2-8-6(4)10-3-9-5/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21,22);1-3H,(H,8,9,10)
InChIKeySOYSYYVSAKBJJX-UHFFFAOYSA-N
MW460.93 g/mol
LogP5.03
Rot. Bonds4

About 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 160896682) has the molecular formula C23H21ClN8O and a molecular weight of 460.93 g/mol. Its IUPAC name is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID160896682
Molecular FormulaC23H21ClN8O
Molecular Weight460.93 g/mol
Exact Mass460.15
IUPAC Name4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)Oc1cc2c(cc1Nc1ncnc3[nH]ccc13)C=NC2.Clc1ncnc2[nH]ccc12
InChIInChI=1S/C17H17N5O.C6H4ClN3/c1-10(2)23-15-6-12-8-18-7-11(12)5-14(15)22-17-13-3-4-19-16(13)20-9-21-17;7-5-4-1-2-8-6(4)10-3-9-5/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21,22);1-3H,(H,8,9,10)
InChIKeySOYSYYVSAKBJJX-UHFFFAOYSA-N
XLogP5.03
TPSA116.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.93
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160896683
6-chloro-N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162217583
4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-methyl-N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 159402019
3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-N-(6-propan-2-yloxy-1H-isoindol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 162131082
N,N-dimethyl-4-[(6-propan-2-yloxy-1H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-[(6-propan-2-yloxy-1H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 159712604
N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69190382
4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-[3-(trifluoromethyl)-1H-isoindol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 159429783
4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid
CID 167600605
N-(2-hydroxyethyl)-N-methyl-4-[(6-propan-2-yloxy-1H-isoindol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide;4-[(6-propan-2-yloxy-1H-isoindol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 158611782
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(7S)-4-[(6-propan-2-yloxy-1H-isoindol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 161377753
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
6-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 161191773

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 160896682) is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)Oc1cc2c(cc1Nc1ncnc3[nH]ccc13)C=NC2.Clc1ncnc2[nH]ccc12.
What is the InChIKey of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SOYSYYVSAKBJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O.C6H4ClN3/c1-10(2)23-15-6-12-8-18-7-11(12)5-14(15)22-17-13-3-4-19-16(13)20-9-21-17;7-5-4-1-2-8-6(4)10-3-9-5/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21,22);1-3H,(H,8,9,10).
What are the key properties of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 460.93 g/mol, XLogP of 5.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 160896682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).