6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H26FN5O — CID 156837913

IUPAC6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc2c(c1)CC[C@H](N1CCOCC1)C2Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C23H26FN5O/c24-16-4-5-17-15(11-16)3-6-20(29-7-9-30-10-8-29)21(17)28-23-18-12-19(14-1-2-14)27-22(18)25-13-26-23/h4-5,11-14,20-21H,1-3,6-10H2,(H2,25,26,27,28)/t20-,21?/m0/s1
InChIKeyMWEJCYMEVGQSBI-BGERDNNASA-N
MW407.49 g/mol
LogP3.77
Rot. Bonds4

About 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156837913) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID156837913
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc2c(c1)CC[C@H](N1CCOCC1)C2Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C23H26FN5O/c24-16-4-5-17-15(11-16)3-6-20(29-7-9-30-10-8-29)21(17)28-23-18-12-19(14-1-2-14)27-22(18)25-13-26-23/h4-5,11-14,20-21H,1-3,6-10H2,(H2,25,26,27,28)/t20-,21?/m0/s1
InChIKeyMWEJCYMEVGQSBI-BGERDNNASA-N
XLogP3.77
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 156837913) is 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccc2c(c1)CC[C@H](N1CCOCC1)C2Nc1ncnc2[nH]c(C3CC3)cc12.
What is the InChIKey of 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MWEJCYMEVGQSBI-BGERDNNASA-N. The full InChI is InChI=1S/C23H26FN5O/c24-16-4-5-17-15(11-16)3-6-20(29-7-9-30-10-8-29)21(17)28-23-18-12-19(14-1-2-14)27-22(18)25-13-26-23/h4-5,11-14,20-21H,1-3,6-10H2,(H2,25,26,27,28)/t20-,21?/m0/s1.
What are the key properties of 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 407.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156837913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).